Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C25H32N2O4 |
Molecular Weight | 424.5326 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
C[C@H]1CN(C[C@H](CC2=CC=CC=C2)C(=O)NCC(O)=O)CC[C@@]1(C)C3=CC=CC(O)=C3
InChI
InChIKey=UPNUIXSCZBYVBB-JVFUWBCBSA-N
InChI=1S/C25H32N2O4/c1-18-16-27(12-11-25(18,2)21-9-6-10-22(28)14-21)17-20(24(31)26-15-23(29)30)13-19-7-4-3-5-8-19/h3-10,14,18,20,28H,11-13,15-17H2,1-2H3,(H,26,31)(H,29,30)/t18-,20-,25+/m0/s1
DescriptionCurator's Comment: Description was created based on several sources, including
https://www.ncbi.nlm.nih.gov/pubmed/8057274 | http://adisinsight.springer.com/drugs/800003539
Curator's Comment: Description was created based on several sources, including
https://www.ncbi.nlm.nih.gov/pubmed/8057274 | http://adisinsight.springer.com/drugs/800003539
Alvimopan (LY246736, ADL 8-2698, trade name Entereg) is a potent, peripherally selective mu-opioid receptor antagonist. Alvimopan was developed by Adolor Corporation (now Cubist Pharmaceuticals) and GlaxoSmithKline for the treatment of postoperative ileus. Postoperative ileus is the impairment of gastrointestinal motility after intra-abdominal surgery or other non-abdominal surgeries. This may potentially delay gastrointestinal recovery and hospital discharge until its resolution. Morphine and other mu-opioid receptor agonists are universally used for the treatment
of acute postsurgical pain; however, they are known to have an inhibitory effect on gastrointestinal motility and may prolong the duration of postoperative ileus. Following oral administration, alvimopan antagonizes the peripheral effects of opioids on gastrointestinal motility and secretion by competitively binding to gastrointestinal tract mu-opioid
receptors.
CNS Activity
Originator
Sources: http://adisinsight.springer.com/drugs/800003539
Curator's Comment: # Eli Lilly
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL233 Sources: https://www.ncbi.nlm.nih.gov/pubmed/8057274 |
0.77 nM [Ki] |
Conditions
Condition | Modality | Targets | Highest Phase | Product |
---|---|---|---|---|
Preventing | ENTEREG Approved UseENTEREG is a peripherally acting μ-opioid receptor antagonist indicated to accelerate the time to upper and lower gastrointestinal recovery following partial large or small bowel resection surgery with primary anastomosis. Launch Date1.21124159E12 |
Cmax
Value | Dose | Co-administered | Analyte | Population |
---|---|---|---|---|
10.98 ng/mL |
12 mg 2 times / day multiple, oral dose: 12 mg route of administration: Oral experiment type: MULTIPLE co-administered: |
ALVIMOPAN plasma | Homo sapiens population: HEALTHY age: ADULT sex: UNKNOWN food status: UNKNOWN |
AUC
Value | Dose | Co-administered | Analyte | Population |
---|---|---|---|---|
40.2 ng × h/mL |
12 mg 2 times / day multiple, oral dose: 12 mg route of administration: Oral experiment type: MULTIPLE co-administered: |
ALVIMOPAN plasma | Homo sapiens population: HEALTHY age: ADULT sex: UNKNOWN food status: UNKNOWN |
T1/2
Value | Dose | Co-administered | Analyte | Population |
---|---|---|---|---|
13.5 h |
12 mg 2 times / day multiple, oral dose: 12 mg route of administration: Oral experiment type: MULTIPLE co-administered: |
ALVIMOPAN plasma | Homo sapiens population: HEALTHY age: ADULT sex: UNKNOWN food status: UNKNOWN |
Funbound
Value | Dose | Co-administered | Analyte | Population |
---|---|---|---|---|
20% |
12 mg 2 times / day multiple, oral dose: 12 mg route of administration: Oral experiment type: MULTIPLE co-administered: |
ALVIMOPAN plasma | Homo sapiens population: HEALTHY age: ADULT sex: UNKNOWN food status: UNKNOWN |
Doses
Dose | Population | Adverse events |
---|---|---|
120 mg single, oral Highest studied dose Dose: 120 mg Route: oral Route: single Dose: 120 mg Sources: |
healthy, adult Health Status: healthy Age Group: adult Sources: |
|
48 mg 1 times / day multiple, oral Highest studied dose Dose: 48 mg, 1 times / day Route: oral Route: multiple Dose: 48 mg, 1 times / day Sources: |
healthy, adult Health Status: healthy Age Group: adult Sources: |
|
12 mg 2 times / day multiple, oral Recommended Dose: 12 mg, 2 times / day Route: oral Route: multiple Dose: 12 mg, 2 times / day Sources: |
unhealthy, adult Health Status: unhealthy Age Group: adult Sources: |
|
12 mg 2 times / day steady, oral Dose: 12 mg, 2 times / day Route: oral Route: steady Dose: 12 mg, 2 times / day Sources: |
unhealthy n = 66 Health Status: unhealthy Condition: ovarian cancer Population Size: 66 Sources: |
Other AEs: Ascites, Ileus... Other AEs: Ascites (serious, 1 patient) Sources: Ileus (serious, 1 patient) Electrolyte imbalance (serious, 1 patient) Failure to thrive (serious, 1 patient) Syncope (serious, 1 patient) Wound infection (serious, 2 patients) Wound complication (serious, 1 patient) Mania (serious, 1 patient) Hypertension (below serious, 3 patients) Constipation (below serious, 18 patients) Diarrhea (below serious, 6 patients) Dyspepsia (below serious, 1 patient) Nausea (below serious, 20 patients) Vomiting (below serious, 9 patients) Anorexia (below serious, 4 patients) Esophagitis (below serious, 1 patient) Gastroparesis (below serious, 1 patient) Weight loss (below serious, 3 patients) Leukocytosis (below serious, 4 patients) International normalized ratio increased (below serious, 1 patient) Electrolyte imbalance (below serious, 8 patients) Hypomagnesemia (below serious, 2 patients) Elevated liver enzymes (below serious, 2 patients) Delirium (below serious, 3 patients) Insomnia (below serious, 1 patient) Sensory neuropathy (below serious, 3 patients) Cystostomy (below serious, 1 patient) Pelvic abscess (below serious, 1 patient) Urinary tract obstruction (below serious, 1 patient) Allergic reaction to chemotherapy (below serious, 1 patient) Pneumonitis (below serious, 2 patients) Pneumothorax (below serious, 2 patients) Wound infection (below serious, 7 patients) Skin infection (below serious, 2 patients) |
AEs
AE | Significance | Dose | Population |
---|---|---|---|
Allergic reaction to chemotherapy | below serious, 1 patient | 12 mg 2 times / day steady, oral Dose: 12 mg, 2 times / day Route: oral Route: steady Dose: 12 mg, 2 times / day Sources: |
unhealthy n = 66 Health Status: unhealthy Condition: ovarian cancer Population Size: 66 Sources: |
Cystostomy | below serious, 1 patient | 12 mg 2 times / day steady, oral Dose: 12 mg, 2 times / day Route: oral Route: steady Dose: 12 mg, 2 times / day Sources: |
unhealthy n = 66 Health Status: unhealthy Condition: ovarian cancer Population Size: 66 Sources: |
Dyspepsia | below serious, 1 patient | 12 mg 2 times / day steady, oral Dose: 12 mg, 2 times / day Route: oral Route: steady Dose: 12 mg, 2 times / day Sources: |
unhealthy n = 66 Health Status: unhealthy Condition: ovarian cancer Population Size: 66 Sources: |
Esophagitis | below serious, 1 patient | 12 mg 2 times / day steady, oral Dose: 12 mg, 2 times / day Route: oral Route: steady Dose: 12 mg, 2 times / day Sources: |
unhealthy n = 66 Health Status: unhealthy Condition: ovarian cancer Population Size: 66 Sources: |
Gastroparesis | below serious, 1 patient | 12 mg 2 times / day steady, oral Dose: 12 mg, 2 times / day Route: oral Route: steady Dose: 12 mg, 2 times / day Sources: |
unhealthy n = 66 Health Status: unhealthy Condition: ovarian cancer Population Size: 66 Sources: |
Insomnia | below serious, 1 patient | 12 mg 2 times / day steady, oral Dose: 12 mg, 2 times / day Route: oral Route: steady Dose: 12 mg, 2 times / day Sources: |
unhealthy n = 66 Health Status: unhealthy Condition: ovarian cancer Population Size: 66 Sources: |
International normalized ratio increased | below serious, 1 patient | 12 mg 2 times / day steady, oral Dose: 12 mg, 2 times / day Route: oral Route: steady Dose: 12 mg, 2 times / day Sources: |
unhealthy n = 66 Health Status: unhealthy Condition: ovarian cancer Population Size: 66 Sources: |
Pelvic abscess | below serious, 1 patient | 12 mg 2 times / day steady, oral Dose: 12 mg, 2 times / day Route: oral Route: steady Dose: 12 mg, 2 times / day Sources: |
unhealthy n = 66 Health Status: unhealthy Condition: ovarian cancer Population Size: 66 Sources: |
Urinary tract obstruction | below serious, 1 patient | 12 mg 2 times / day steady, oral Dose: 12 mg, 2 times / day Route: oral Route: steady Dose: 12 mg, 2 times / day Sources: |
unhealthy n = 66 Health Status: unhealthy Condition: ovarian cancer Population Size: 66 Sources: |
Constipation | below serious, 18 patients | 12 mg 2 times / day steady, oral Dose: 12 mg, 2 times / day Route: oral Route: steady Dose: 12 mg, 2 times / day Sources: |
unhealthy n = 66 Health Status: unhealthy Condition: ovarian cancer Population Size: 66 Sources: |
Elevated liver enzymes | below serious, 2 patients | 12 mg 2 times / day steady, oral Dose: 12 mg, 2 times / day Route: oral Route: steady Dose: 12 mg, 2 times / day Sources: |
unhealthy n = 66 Health Status: unhealthy Condition: ovarian cancer Population Size: 66 Sources: |
Hypomagnesemia | below serious, 2 patients | 12 mg 2 times / day steady, oral Dose: 12 mg, 2 times / day Route: oral Route: steady Dose: 12 mg, 2 times / day Sources: |
unhealthy n = 66 Health Status: unhealthy Condition: ovarian cancer Population Size: 66 Sources: |
Pneumonitis | below serious, 2 patients | 12 mg 2 times / day steady, oral Dose: 12 mg, 2 times / day Route: oral Route: steady Dose: 12 mg, 2 times / day Sources: |
unhealthy n = 66 Health Status: unhealthy Condition: ovarian cancer Population Size: 66 Sources: |
Pneumothorax | below serious, 2 patients | 12 mg 2 times / day steady, oral Dose: 12 mg, 2 times / day Route: oral Route: steady Dose: 12 mg, 2 times / day Sources: |
unhealthy n = 66 Health Status: unhealthy Condition: ovarian cancer Population Size: 66 Sources: |
Skin infection | below serious, 2 patients | 12 mg 2 times / day steady, oral Dose: 12 mg, 2 times / day Route: oral Route: steady Dose: 12 mg, 2 times / day Sources: |
unhealthy n = 66 Health Status: unhealthy Condition: ovarian cancer Population Size: 66 Sources: |
Nausea | below serious, 20 patients | 12 mg 2 times / day steady, oral Dose: 12 mg, 2 times / day Route: oral Route: steady Dose: 12 mg, 2 times / day Sources: |
unhealthy n = 66 Health Status: unhealthy Condition: ovarian cancer Population Size: 66 Sources: |
Delirium | below serious, 3 patients | 12 mg 2 times / day steady, oral Dose: 12 mg, 2 times / day Route: oral Route: steady Dose: 12 mg, 2 times / day Sources: |
unhealthy n = 66 Health Status: unhealthy Condition: ovarian cancer Population Size: 66 Sources: |
Hypertension | below serious, 3 patients | 12 mg 2 times / day steady, oral Dose: 12 mg, 2 times / day Route: oral Route: steady Dose: 12 mg, 2 times / day Sources: |
unhealthy n = 66 Health Status: unhealthy Condition: ovarian cancer Population Size: 66 Sources: |
Sensory neuropathy | below serious, 3 patients | 12 mg 2 times / day steady, oral Dose: 12 mg, 2 times / day Route: oral Route: steady Dose: 12 mg, 2 times / day Sources: |
unhealthy n = 66 Health Status: unhealthy Condition: ovarian cancer Population Size: 66 Sources: |
Weight loss | below serious, 3 patients | 12 mg 2 times / day steady, oral Dose: 12 mg, 2 times / day Route: oral Route: steady Dose: 12 mg, 2 times / day Sources: |
unhealthy n = 66 Health Status: unhealthy Condition: ovarian cancer Population Size: 66 Sources: |
Anorexia | below serious, 4 patients | 12 mg 2 times / day steady, oral Dose: 12 mg, 2 times / day Route: oral Route: steady Dose: 12 mg, 2 times / day Sources: |
unhealthy n = 66 Health Status: unhealthy Condition: ovarian cancer Population Size: 66 Sources: |
Leukocytosis | below serious, 4 patients | 12 mg 2 times / day steady, oral Dose: 12 mg, 2 times / day Route: oral Route: steady Dose: 12 mg, 2 times / day Sources: |
unhealthy n = 66 Health Status: unhealthy Condition: ovarian cancer Population Size: 66 Sources: |
Diarrhea | below serious, 6 patients | 12 mg 2 times / day steady, oral Dose: 12 mg, 2 times / day Route: oral Route: steady Dose: 12 mg, 2 times / day Sources: |
unhealthy n = 66 Health Status: unhealthy Condition: ovarian cancer Population Size: 66 Sources: |
Wound infection | below serious, 7 patients | 12 mg 2 times / day steady, oral Dose: 12 mg, 2 times / day Route: oral Route: steady Dose: 12 mg, 2 times / day Sources: |
unhealthy n = 66 Health Status: unhealthy Condition: ovarian cancer Population Size: 66 Sources: |
Electrolyte imbalance | below serious, 8 patients | 12 mg 2 times / day steady, oral Dose: 12 mg, 2 times / day Route: oral Route: steady Dose: 12 mg, 2 times / day Sources: |
unhealthy n = 66 Health Status: unhealthy Condition: ovarian cancer Population Size: 66 Sources: |
Vomiting | below serious, 9 patients | 12 mg 2 times / day steady, oral Dose: 12 mg, 2 times / day Route: oral Route: steady Dose: 12 mg, 2 times / day Sources: |
unhealthy n = 66 Health Status: unhealthy Condition: ovarian cancer Population Size: 66 Sources: |
Ascites | serious, 1 patient | 12 mg 2 times / day steady, oral Dose: 12 mg, 2 times / day Route: oral Route: steady Dose: 12 mg, 2 times / day Sources: |
unhealthy n = 66 Health Status: unhealthy Condition: ovarian cancer Population Size: 66 Sources: |
Electrolyte imbalance | serious, 1 patient | 12 mg 2 times / day steady, oral Dose: 12 mg, 2 times / day Route: oral Route: steady Dose: 12 mg, 2 times / day Sources: |
unhealthy n = 66 Health Status: unhealthy Condition: ovarian cancer Population Size: 66 Sources: |
Failure to thrive | serious, 1 patient | 12 mg 2 times / day steady, oral Dose: 12 mg, 2 times / day Route: oral Route: steady Dose: 12 mg, 2 times / day Sources: |
unhealthy n = 66 Health Status: unhealthy Condition: ovarian cancer Population Size: 66 Sources: |
Ileus | serious, 1 patient | 12 mg 2 times / day steady, oral Dose: 12 mg, 2 times / day Route: oral Route: steady Dose: 12 mg, 2 times / day Sources: |
unhealthy n = 66 Health Status: unhealthy Condition: ovarian cancer Population Size: 66 Sources: |
Mania | serious, 1 patient | 12 mg 2 times / day steady, oral Dose: 12 mg, 2 times / day Route: oral Route: steady Dose: 12 mg, 2 times / day Sources: |
unhealthy n = 66 Health Status: unhealthy Condition: ovarian cancer Population Size: 66 Sources: |
Syncope | serious, 1 patient | 12 mg 2 times / day steady, oral Dose: 12 mg, 2 times / day Route: oral Route: steady Dose: 12 mg, 2 times / day Sources: |
unhealthy n = 66 Health Status: unhealthy Condition: ovarian cancer Population Size: 66 Sources: |
Wound complication | serious, 1 patient | 12 mg 2 times / day steady, oral Dose: 12 mg, 2 times / day Route: oral Route: steady Dose: 12 mg, 2 times / day Sources: |
unhealthy n = 66 Health Status: unhealthy Condition: ovarian cancer Population Size: 66 Sources: |
Wound infection | serious, 2 patients | 12 mg 2 times / day steady, oral Dose: 12 mg, 2 times / day Route: oral Route: steady Dose: 12 mg, 2 times / day Sources: |
unhealthy n = 66 Health Status: unhealthy Condition: ovarian cancer Population Size: 66 Sources: |
Overview
CYP3A4 | CYP2C9 | CYP2D6 | hERG |
---|---|---|---|
OverviewOther
Other Inhibitor | Other Substrate | Other Inducer |
---|---|---|
Drug as perpetrator
Drug as victim
Target | Modality | Activity | Metabolite | Clinical evidence |
---|---|---|---|---|
Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2008/021775_ENTEREG_CAPSULES_BIOPHARMR.pdf Page: 94.0 |
no | |||
Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2008/021775_ENTEREG_CAPSULES_BIOPHARMR.pdf Page: 67, 97 |
yes |
Tox targets
Target | Modality | Activity | Metabolite | Clinical evidence |
---|---|---|---|---|
Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2008/021775_ENTEREG_CAPSULES_PHARMR.pdf Page: 99, 108 |
PubMed
Title | Date | PubMed |
---|---|---|
Methylnaltrexone and alvimopan: economic management of opioid-induced bowel dysfunction. | 2004 Apr |
|
Alvimopan: ADL 8-2698, ADL 82698, Entrareg, LY 246736. | 2006 |
|
Current choices--good or bad--for the proactive management of postoperative ileus: A surgeon's view. | 2006 Apr |
|
Nurses are everywhere: a practical perspective on the surgical team in managing postoperative ileus. | 2006 Apr |
|
The surgical team and outcomes management: focus on postoperative ileus. | 2006 Apr |
|
Peripherally acting mu-opioid-receptor antagonists and the connection between postoperative ileus and pain management: The anesthesiologist's view and beyond. | 2006 Apr |
|
Use of novel prokinetic agents to facilitate return of gastrointestinal motility in adult critically ill patients. | 2006 Aug |
|
The selective mu opioid receptor antagonist, alvimopan, improves delayed GI transit of postoperative ileus in rats. | 2006 Aug 2 |
|
Pain management research goes beyond the obvious. | 2006 Dec 1 |
|
Current gut-directed therapies for irritable bowel syndrome. | 2006 Jul |
|
Novel opioid antagonists for opioid-induced bowel dysfunction and postoperative ileus. | 2007 |
|
Bench-to-bedside review: Routine postoperative use of the nasogastric tube - utility or futility? | 2007 |
|
Cancer-related constipation. | 2007 Jul |
|
Novel and alternative therapies for childhood constipation. | 2007 Jun |
|
Pharmacologic management of postoperative ileus: the next chapter in GI surgery. | 2007 Mar |
|
Alvimopan, for postoperative ileus following bowel resection: a pooled analysis of phase III studies. | 2007 Mar |
|
The in vitro pharmacology of the peripherally restricted opioid receptor antagonists, alvimopan, ADL 08-0011 and methylnaltrexone. | 2007 May |
|
Mu opioid receptor antagonists: recent developments. | 2007 Nov |
|
Peripherally acting opioid antagonists in the treatment of opiate-related constipation: a systematic review. | 2007 Nov |
|
Emerging pharmacologic options for treating postoperative ileus. | 2007 Oct 15 |
|
Opioid-induced constipation in intensive care patients: relief in sight? | 2008 |
|
Mu-opioid antagonists for opioid-induced bowel dysfunction. | 2008 Apr 16 |
|
New approaches to the treatment of opioid-induced constipation. | 2008 Aug |
|
Clinical trial: alvimopan for the management of post-operative ileus after abdominal surgery: results of an international randomized, double-blind, multicentre, placebo-controlled clinical study. | 2008 Aug 1 |
|
Alvimopan (Entereg) for postoperative ileus. | 2008 Dec 1 |
|
The involvement of the mu-opioid receptor in gastrointestinal pathophysiology: therapeutic opportunities for antagonism at this receptor. | 2008 Jan |
|
Opioid-induced bowel dysfunction. | 2008 Jan |
|
New therapies in the treatment of postoperative ileus after gastrointestinal surgery. | 2008 Jan-Feb |
|
New drug to restore bowel function approved under new FDA rules. | 2008 Jul 1 |
|
Alvimopan, a peripherally acting mu-opioid receptor (PAM-OR) antagonist for the treatment of opioid-induced bowel dysfunction: results from a randomized, double-blind, placebo-controlled, dose-finding study in subjects taking opioids for chronic non-cancer pain. | 2008 Jul 15 |
|
Novel trans-3,4-dimethyl-4-(3-hydroxyphenyl)piperidines as mu opioid receptor antagonists with improved opioid receptor selectivity profiles. | 2008 Mar 15 |
|
Gastrointestinal tract recovery in patients undergoing bowel resection: results of a randomized trial of alvimopan and placebo with a standardized accelerated postoperative care pathway. | 2008 Nov |
|
Alvimopan (Entereg), a Peripherally Acting mu-Opioid Receptor Antagonist For Postoperative Ileus. | 2008 Oct |
|
Management of postoperative ileus: focus on alvimopan. | 2008 Oct |
|
Development of peripheral opioid antagonists' new insights into opioid effects. | 2008 Oct |
|
Alvimopan. | 2008 Sep |
|
Efficacy and safety of mu-opioid antagonists in the treatment of opioid-induced bowel dysfunction: systematic review and meta-analysis of randomized controlled trials. | 2008 Sep |
|
[News from the cochrane library: mu opioid antagonists for opioid-induced bowel dysfunction]. | 2008 Sep |
|
Methylnaltrexone, a new peripherally acting mu-opioid receptor antagonist being evaluated for the treatment of postoperative ileus. | 2008 Sep |
|
New drugs: methylnaltrexone bromide, alvimopan, and rilonacept. | 2008 Sep-Oct |
|
Pharmacological management of postoperative ileus. | 2009 Apr |
|
Economic analysis of alvimopan in North American Phase III efficacy trials. | 2009 Aug 1 |
|
Peripheral opioid antagonism. | 2009 Dec |
|
Pathogenesis and management of postoperative ileus. | 2009 Feb |
|
Peripherally acting mu-opioid receptor antagonists and postoperative ileus: mechanisms of action and clinical applicability. | 2009 Jun |
|
Opioid receptors in the gastrointestinal tract. | 2009 Jun 5 |
|
An overview of constipation and newer therapies. | 2009 Jun-Jul |
|
New drugs 09, part 1. | 2009 Oct-Dec |
|
Intensive Care Unit-acquired infection as a side effect of sedation. | 2010 |
|
Alvimopan (entereg) for the management of postoperative ileus in patients undergoing bowel resection. | 2010 Jan |
Sample Use Guides
12 mg administered 30 minutes to 5 hours prior to surgery followed by 12 mg
twice daily for up to 7 days for a maximum of 15 doses
Route of Administration:
Oral
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/17340127
Curator's Comment: In morphine-naive guinea pig ileum alvimopan increased, the amplitude of electrically evoked contractions and spontaneous mechanical activity.
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Classification Tree | Code System | Code | ||
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NDF-RT |
N0000000154
Created by
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WHO-ATC |
A06AH02
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NCI_THESAURUS |
C681
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NDF-RT |
N0000175691
Created by
admin on Fri Dec 15 16:19:53 UTC 2023 , Edited by admin on Fri Dec 15 16:19:53 UTC 2023
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Code System | Code | Type | Description | ||
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m1636
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156053-89-3
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SUB20585
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8245
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100000085983
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Q153V49P3Z
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Q153V49P3Z
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C77377
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DTXSID60166035
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7704
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5488548
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1516803
Created by
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PRIMARY | RxNorm |
ACTIVE MOIETY
METABOLITE (PARENT)
SALT/SOLVATE (PARENT)