U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C13H17O2.Na.2H2O
Molecular Weight 264.2932
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of IBUPROFEN SODIUM

SMILES

O.O.[Na+].CC(C)CC1=CC=C(C=C1)C(C)C([O-])=O

InChI

InChIKey=VTGPMVCGAVZLQI-UHFFFAOYSA-M
InChI=1S/C13H18O2.Na.2H2O/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;;;/h4-7,9-10H,8H2,1-3H3,(H,14,15);;2*1H2/q;+1;;/p-1

HIDE SMILES / InChI

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C13H18O2
Molecular Weight 206.2808
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Description
Curator's Comment: description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/20718179

Ibuprofen is a nonsteroidal anti-inflammatory agent (NSAIA) or nonsteroidal anti-inflammatory drug (NSAID), with analgesic and antipyretic properties. Ibuprofen has pharmacologic actions similar to those of other prototypical NSAIAs, which are thought to act through inhibition of prostaglandin synthesis. It’s used temporarily relieves minor aches and pains due to: headache; the common cold; muscular aches; backache; toothache; minor pain of arthritis; menstrual cramps and temporarily reduces fever. The exact mechanism of action of ibuprofen is unknown. Ibuprofen is a non-selective inhibitor of cyclooxygenase, an enzyme invovled in prostaglandin synthesis via the arachidonic acid pathway. Its pharmacological effects are believed to be due to inhibition cylooxygenase-2 (COX-2) which decreases the synthesis of prostaglandins involved in mediating inflammation, pain, fever and swelling. Antipyretic effects may be due to action on the hypothalamus, resulting in an increased peripheral blood flow, vasodilation, and subsequent heat dissipation. Inhibition of COX-1 is thought to cause some of the side effects of ibuprofen including GI ulceration. Ibuprofen is administered as a racemic mixture. The R-enantiomer undergoes extensive interconversion to the S-enantiomer in vivo. The S-enantiomer is believed to be the more pharmacologically active enantiomer.

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Palliative
IBU-TAB

Approved Use

temporarily relieves minor aches and pains due to: headache; the common cold; muscular aches; backache; toothache; minor pain of arthritis; menstrual cramps; temporarily reduces fever

Launch Date

1988
Palliative
IBU-TAB

Approved Use

temporarily relieves minor aches and pains due to: headache; the common cold; muscular aches; backache; toothache; minor pain of arthritis; menstrual cramps; temporarily reduces fever

Launch Date

1988
Palliative
IBU-TAB

Approved Use

temporarily relieves minor aches and pains due to: headache; the common cold; muscular aches; backache; toothache; minor pain of arthritis; menstrual cramps; temporarily reduces fever

Launch Date

1988
Palliative
IBU-TAB

Approved Use

temporarily relieves minor aches and pains due to: headache; the common cold; muscular aches; backache; toothache; minor pain of arthritis; menstrual cramps; temporarily reduces fever

Launch Date

1988
Palliative
IBU-TAB

Approved Use

temporarily relieves minor aches and pains due to: headache; the common cold; muscular aches; backache; toothache; minor pain of arthritis; menstrual cramps; temporarily reduces fever

Launch Date

1988
Cmax

Cmax

ValueDoseCo-administeredAnalytePopulation
27.9 μg/mL
400 mg single, oral
dose: 400 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
IBUPROFEN plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: MALE
food status: UNKNOWN
AUC

AUC

ValueDoseCo-administeredAnalytePopulation
103 μg × h/mL
400 mg single, oral
dose: 400 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
IBUPROFEN plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: MALE
food status: UNKNOWN
T1/2

T1/2

ValueDoseCo-administeredAnalytePopulation
2.2 h
400 mg single, oral
dose: 400 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
IBUPROFEN plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: MALE
food status: UNKNOWN
Funbound

Funbound

ValueDoseCo-administeredAnalytePopulation
1%
IBUPROFEN plasma
Homo sapiens
population: UNKNOWN
age: UNKNOWN
sex: UNKNOWN
food status: UNKNOWN
Doses

Doses

DosePopulationAdverse events​
199800 mg single, oral
Overdose
Dose: 199800 mg
Route: oral
Route: single
Dose: 199800 mg
Sources:
unknown, 17 years
Health Status: unknown
Age Group: 17 years
Sex: F
Sources:
Other AEs: Cardiovascular collapse, Acidosis...
Other AEs:
Cardiovascular collapse (grade 5, 1 patient)
Acidosis (grade 5, 1 patient)
Hypothermia (grade 5, 1 patient)
Sources:
90 g single, oral
Overdose
Dose: 90 g
Route: oral
Route: single
Dose: 90 g
Sources:
unknown, 19 years
Health Status: unknown
Age Group: 19 years
Sex: M
Sources:
Other AEs: Polyuria, Acidosis...
Other AEs:
Polyuria (1 patient)
Acidosis (1 patient)
Sources:
800 mg 4 times / day multiple, intravenous
Recommended
Dose: 800 mg, 4 times / day
Route: intravenous
Route: multiple
Dose: 800 mg, 4 times / day
Sources:
unhealthy, 33 years
n = 40
Health Status: unhealthy
Age Group: 33 years
Sex: M+F
Population Size: 40
Sources:
Other AEs: Acute respiratory distress syndrome, Tachypnea...
Other AEs:
Acute respiratory distress syndrome (serious, 1 patient)
Tachypnea (serious, 1 patient)
Septic shock (serious, 1 patient)
Breathlessness (serious, 1 patient)
Septicemia (serious, 1 patient)
Sources:
400 mg 4 times / day multiple, intravenous
Recommended
Dose: 400 mg, 4 times / day
Route: intravenous
Route: multiple
Dose: 400 mg, 4 times / day
Sources: Page: p.87
unhealthy, 42 years (range: 17-73 years)
n = 195
Health Status: unhealthy
Age Group: 42 years (range: 17-73 years)
Sex: M+F
Population Size: 195
Sources: Page: p.87
Disc. AE: Dizziness, Headache...
AEs leading to
discontinuation/dose reduction:
Dizziness (2%)
Headache (1 patient)
Sources: Page: p.87
800 mg 4 times / day multiple, intravenous
Recommended
Dose: 800 mg, 4 times / day
Route: intravenous
Route: multiple
Dose: 800 mg, 4 times / day
Sources: Page: p.87
unhealthy, 44 years (range: 20-69 years)
n = 304
Health Status: unhealthy
Age Group: 44 years (range: 20-69 years)
Sex: M+F
Population Size: 304
Sources: Page: p.87
Disc. AE: Headache...
AEs leading to
discontinuation/dose reduction:
Headache (2 patients)
Sources: Page: p.87
240000 mg single, oral
Overdose
Dose: 240000 mg
Route: oral
Route: single
Dose: 240000 mg
Co-administed with::
divalproex sodium
Sources:
unknown, 49 years
Health Status: unknown
Age Group: 49 years
Sex: M
Sources:
Other AEs: Cardiovascular collapse...
Other AEs:
Cardiovascular collapse (grade 5, 1 patient)
Sources:
240000 mg single, oral
Overdose
Dose: 240000 mg
Route: oral
Route: single
Dose: 240000 mg
Sources:
unknown, 49 years
Health Status: unknown
Age Group: 49 years
Sex: M
Sources:
Other AEs: Acidosis, Hypothermia...
Other AEs:
Acidosis (grade 5, 1 patient)
Hypothermia (grade 5, 1 patient)
Sources:
400 mg 4 times / day multiple, intravenous
Recommended
Dose: 400 mg, 4 times / day
Route: intravenous
Route: multiple
Dose: 400 mg, 4 times / day
Sources:
unhealthy, adult
Health Status: unhealthy
Condition: Pain
Age Group: adult
Sources:
Other AEs: Myocardial infarction, Stroke...
Other AEs:
Myocardial infarction (serious|grade 5)
Stroke (serious|grade 5)
Sources:
400 mg 6 times / day multiple, oral
Recommended
Dose: 400 mg, 6 times / day
Route: oral
Route: multiple
Dose: 400 mg, 6 times / day
Sources:
unhealthy, adult
Health Status: unhealthy
Condition: pain
Age Group: adult
Sources:
Other AEs: Myocardial infarction, Stroke...
Other AEs:
Myocardial infarction (serious|grade 5)
Stroke (serious|grade 5)
Sources:
200 mg single, oral
Dose: 200 mg
Route: oral
Route: single
Dose: 200 mg
Sources:
unhealthy
n = 62
Health Status: unhealthy
Condition: Episodic Tension Type Headache
Population Size: 62
Sources:
Other AEs: Depression, Insomnia...
Other AEs:
Depression (below serious, 1 patient)
Insomnia (below serious, 1 patient)
Oropharyngeal pain (below serious, 1 patient)
Sinus congestion (below serious, 1 patient)
Sources:
97.5 mg 4 times / day multiple, oral
Dose: 97.5 mg, 4 times / day
Route: oral
Route: multiple
Dose: 97.5 mg, 4 times / day
Sources:
unhealthy
n = 112
Health Status: unhealthy
Condition: Dental Pain
Population Size: 112
Sources:
Other AEs: Facial swelling...
Other AEs:
Facial swelling (below serious, 8 patients)
Sources:
10 mg/kg single, oral
Dose: 10 mg/kg
Route: oral
Route: single
Dose: 10 mg/kg
Sources:
unhealthy
n = 29
Health Status: unhealthy
Condition: Post-ERCP Pancreatitis
Population Size: 29
Sources:
Other AEs: Bleeding, Perforation...
Other AEs:
Bleeding (below serious, 2 patients)
Perforation (below serious, 1 patient)
Sources:
AEs

AEs

AESignificanceDosePopulation
Acidosis grade 5, 1 patient
199800 mg single, oral
Overdose
Dose: 199800 mg
Route: oral
Route: single
Dose: 199800 mg
Sources:
unknown, 17 years
Health Status: unknown
Age Group: 17 years
Sex: F
Sources:
Cardiovascular collapse grade 5, 1 patient
199800 mg single, oral
Overdose
Dose: 199800 mg
Route: oral
Route: single
Dose: 199800 mg
Sources:
unknown, 17 years
Health Status: unknown
Age Group: 17 years
Sex: F
Sources:
Hypothermia grade 5, 1 patient
199800 mg single, oral
Overdose
Dose: 199800 mg
Route: oral
Route: single
Dose: 199800 mg
Sources:
unknown, 17 years
Health Status: unknown
Age Group: 17 years
Sex: F
Sources:
Acidosis 1 patient
90 g single, oral
Overdose
Dose: 90 g
Route: oral
Route: single
Dose: 90 g
Sources:
unknown, 19 years
Health Status: unknown
Age Group: 19 years
Sex: M
Sources:
Polyuria 1 patient
90 g single, oral
Overdose
Dose: 90 g
Route: oral
Route: single
Dose: 90 g
Sources:
unknown, 19 years
Health Status: unknown
Age Group: 19 years
Sex: M
Sources:
Acute respiratory distress syndrome serious, 1 patient
800 mg 4 times / day multiple, intravenous
Recommended
Dose: 800 mg, 4 times / day
Route: intravenous
Route: multiple
Dose: 800 mg, 4 times / day
Sources:
unhealthy, 33 years
n = 40
Health Status: unhealthy
Age Group: 33 years
Sex: M+F
Population Size: 40
Sources:
Breathlessness serious, 1 patient
800 mg 4 times / day multiple, intravenous
Recommended
Dose: 800 mg, 4 times / day
Route: intravenous
Route: multiple
Dose: 800 mg, 4 times / day
Sources:
unhealthy, 33 years
n = 40
Health Status: unhealthy
Age Group: 33 years
Sex: M+F
Population Size: 40
Sources:
Septic shock serious, 1 patient
800 mg 4 times / day multiple, intravenous
Recommended
Dose: 800 mg, 4 times / day
Route: intravenous
Route: multiple
Dose: 800 mg, 4 times / day
Sources:
unhealthy, 33 years
n = 40
Health Status: unhealthy
Age Group: 33 years
Sex: M+F
Population Size: 40
Sources:
Septicemia serious, 1 patient
800 mg 4 times / day multiple, intravenous
Recommended
Dose: 800 mg, 4 times / day
Route: intravenous
Route: multiple
Dose: 800 mg, 4 times / day
Sources:
unhealthy, 33 years
n = 40
Health Status: unhealthy
Age Group: 33 years
Sex: M+F
Population Size: 40
Sources:
Tachypnea serious, 1 patient
800 mg 4 times / day multiple, intravenous
Recommended
Dose: 800 mg, 4 times / day
Route: intravenous
Route: multiple
Dose: 800 mg, 4 times / day
Sources:
unhealthy, 33 years
n = 40
Health Status: unhealthy
Age Group: 33 years
Sex: M+F
Population Size: 40
Sources:
Headache 1 patient
Disc. AE
400 mg 4 times / day multiple, intravenous
Recommended
Dose: 400 mg, 4 times / day
Route: intravenous
Route: multiple
Dose: 400 mg, 4 times / day
Sources: Page: p.87
unhealthy, 42 years (range: 17-73 years)
n = 195
Health Status: unhealthy
Age Group: 42 years (range: 17-73 years)
Sex: M+F
Population Size: 195
Sources: Page: p.87
Dizziness 2%
Disc. AE
400 mg 4 times / day multiple, intravenous
Recommended
Dose: 400 mg, 4 times / day
Route: intravenous
Route: multiple
Dose: 400 mg, 4 times / day
Sources: Page: p.87
unhealthy, 42 years (range: 17-73 years)
n = 195
Health Status: unhealthy
Age Group: 42 years (range: 17-73 years)
Sex: M+F
Population Size: 195
Sources: Page: p.87
Headache 2 patients
Disc. AE
800 mg 4 times / day multiple, intravenous
Recommended
Dose: 800 mg, 4 times / day
Route: intravenous
Route: multiple
Dose: 800 mg, 4 times / day
Sources: Page: p.87
unhealthy, 44 years (range: 20-69 years)
n = 304
Health Status: unhealthy
Age Group: 44 years (range: 20-69 years)
Sex: M+F
Population Size: 304
Sources: Page: p.87
Cardiovascular collapse grade 5, 1 patient
240000 mg single, oral
Overdose
Dose: 240000 mg
Route: oral
Route: single
Dose: 240000 mg
Co-administed with::
divalproex sodium
Sources:
unknown, 49 years
Health Status: unknown
Age Group: 49 years
Sex: M
Sources:
Acidosis grade 5, 1 patient
240000 mg single, oral
Overdose
Dose: 240000 mg
Route: oral
Route: single
Dose: 240000 mg
Sources:
unknown, 49 years
Health Status: unknown
Age Group: 49 years
Sex: M
Sources:
Hypothermia grade 5, 1 patient
240000 mg single, oral
Overdose
Dose: 240000 mg
Route: oral
Route: single
Dose: 240000 mg
Sources:
unknown, 49 years
Health Status: unknown
Age Group: 49 years
Sex: M
Sources:
Myocardial infarction serious|grade 5
400 mg 4 times / day multiple, intravenous
Recommended
Dose: 400 mg, 4 times / day
Route: intravenous
Route: multiple
Dose: 400 mg, 4 times / day
Sources:
unhealthy, adult
Health Status: unhealthy
Condition: Pain
Age Group: adult
Sources:
Stroke serious|grade 5
400 mg 4 times / day multiple, intravenous
Recommended
Dose: 400 mg, 4 times / day
Route: intravenous
Route: multiple
Dose: 400 mg, 4 times / day
Sources:
unhealthy, adult
Health Status: unhealthy
Condition: Pain
Age Group: adult
Sources:
Myocardial infarction serious|grade 5
400 mg 6 times / day multiple, oral
Recommended
Dose: 400 mg, 6 times / day
Route: oral
Route: multiple
Dose: 400 mg, 6 times / day
Sources:
unhealthy, adult
Health Status: unhealthy
Condition: pain
Age Group: adult
Sources:
Stroke serious|grade 5
400 mg 6 times / day multiple, oral
Recommended
Dose: 400 mg, 6 times / day
Route: oral
Route: multiple
Dose: 400 mg, 6 times / day
Sources:
unhealthy, adult
Health Status: unhealthy
Condition: pain
Age Group: adult
Sources:
Depression below serious, 1 patient
200 mg single, oral
Dose: 200 mg
Route: oral
Route: single
Dose: 200 mg
Sources:
unhealthy
n = 62
Health Status: unhealthy
Condition: Episodic Tension Type Headache
Population Size: 62
Sources:
Insomnia below serious, 1 patient
200 mg single, oral
Dose: 200 mg
Route: oral
Route: single
Dose: 200 mg
Sources:
unhealthy
n = 62
Health Status: unhealthy
Condition: Episodic Tension Type Headache
Population Size: 62
Sources:
Oropharyngeal pain below serious, 1 patient
200 mg single, oral
Dose: 200 mg
Route: oral
Route: single
Dose: 200 mg
Sources:
unhealthy
n = 62
Health Status: unhealthy
Condition: Episodic Tension Type Headache
Population Size: 62
Sources:
Sinus congestion below serious, 1 patient
200 mg single, oral
Dose: 200 mg
Route: oral
Route: single
Dose: 200 mg
Sources:
unhealthy
n = 62
Health Status: unhealthy
Condition: Episodic Tension Type Headache
Population Size: 62
Sources:
Facial swelling below serious, 8 patients
97.5 mg 4 times / day multiple, oral
Dose: 97.5 mg, 4 times / day
Route: oral
Route: multiple
Dose: 97.5 mg, 4 times / day
Sources:
unhealthy
n = 112
Health Status: unhealthy
Condition: Dental Pain
Population Size: 112
Sources:
Perforation below serious, 1 patient
10 mg/kg single, oral
Dose: 10 mg/kg
Route: oral
Route: single
Dose: 10 mg/kg
Sources:
unhealthy
n = 29
Health Status: unhealthy
Condition: Post-ERCP Pancreatitis
Population Size: 29
Sources:
Bleeding below serious, 2 patients
10 mg/kg single, oral
Dose: 10 mg/kg
Route: oral
Route: single
Dose: 10 mg/kg
Sources:
unhealthy
n = 29
Health Status: unhealthy
Condition: Post-ERCP Pancreatitis
Population Size: 29
Sources:
OverviewDrug as perpetrator​Drug as victim

Drug as victim

TargetModalityActivityMetaboliteClinical evidence
minor
minor
minor
no
no
no
no
no
no
yes
yes
yes
yes
yes
yes
yes
yes
yes
Tox targets

Tox targets

TargetModalityActivityMetaboliteClinical evidence
PubMed

PubMed

TitleDatePubMed
Letter: Aspirin sensitivity: other drugs.
1975 Feb
Induction of stromelysin gene expression by tumor necrosis factor alpha is inhibited by dexamethasone, salicylate, and N-acetylcysteine in synovial fibroblasts.
1999 Jun
R- and S-isomers of nonsteroidal anti-inflammatory drugs differentially regulate cytokine production.
2000 Jun
Inhibition of inducible nitric oxide synthase gene expression by indomethacin or ibuprofen in beta-amyloid protein-stimulated J774 cells.
2000 Nov 17
Directed control of electroosmotic flow in nonaqueous electrolytes using poly(ethylene glycol) coated capillaries.
2001
Risk of upper gastrointestinal bleeding and perforation associated with low-dose aspirin as plain and enteric-coated formulations.
2001
Using evidence from different sources: an example using paracetamol 1000 mg plus codeine 60 mg.
2001 Jan 10
Audit of pain management at home following tonsillectomy in children.
2001 Mar
Patents

Sample Use Guides

adults: take 1 tablet every 4 to 6 hours while symptoms persist. If pain or fever does not respond to 1 tablet, 2 tablets may be used; do not exceed 6 tablets in 24 hours. Children under 12 years: ask a doctor.
Route of Administration: Oral
Ibuprofen, in a 400-μM concentration, decreased the expression of Hsp70 by 23% in comparison with untreated cells, whereas other NSAID had no effect. Ibuprofen also decreased the expression of Hsp70 in H358, a human lung adenocarcinoma cell line, in a dose-dependent manner (from 0-400 uM).
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:38:43 GMT 2023
Edited
by admin
on Fri Dec 15 18:38:43 GMT 2023
Record UNII
RM1CE97Z4N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
IBUPROFEN SODIUM
ORANGE BOOK   USAN   WHO-DD  
USAN  
Official Name English
Ibuprofen sodium [WHO-DD]
Common Name English
Sodium (2RS)-2-[4-(2-methylpropyl)phenyl]propanoate dihydrate
Systematic Name English
COMBOGESIC IV COMPONENT IBUPROFEN SODIUM
Brand Name English
IBUPROFEN SODIUM [USAN]
Common Name English
BENZENEACETIC ACID, .ALPHA.-METHYL-4-(2-METHYLPROPYL)-, SODIUM SALT, HYDRATE (1:1:2)
Common Name English
IBUPROFEN SODIUM [ORANGE BOOK]
Common Name English
IBUPROFEN SODIUM DIHYDRATE
Common Name English
SODIUM IBUPROFEN DIHYDRATE
Common Name English
Code System Code Type Description
PUBCHEM
23690315
Created by admin on Fri Dec 15 18:38:43 GMT 2023 , Edited by admin on Fri Dec 15 18:38:43 GMT 2023
PRIMARY
CAS
527688-20-6
Created by admin on Fri Dec 15 18:38:43 GMT 2023 , Edited by admin on Fri Dec 15 18:38:43 GMT 2023
PRIMARY
EVMPD
SUB89475
Created by admin on Fri Dec 15 18:38:43 GMT 2023 , Edited by admin on Fri Dec 15 18:38:43 GMT 2023
PRIMARY
USAN
XX-145
Created by admin on Fri Dec 15 18:38:43 GMT 2023 , Edited by admin on Fri Dec 15 18:38:43 GMT 2023
PRIMARY
ChEMBL
CHEMBL521
Created by admin on Fri Dec 15 18:38:43 GMT 2023 , Edited by admin on Fri Dec 15 18:38:43 GMT 2023
PRIMARY
NCI_THESAURUS
C170048
Created by admin on Fri Dec 15 18:38:43 GMT 2023 , Edited by admin on Fri Dec 15 18:38:43 GMT 2023
PRIMARY
SMS_ID
100000140150
Created by admin on Fri Dec 15 18:38:43 GMT 2023 , Edited by admin on Fri Dec 15 18:38:43 GMT 2023
PRIMARY
DAILYMED
RM1CE97Z4N
Created by admin on Fri Dec 15 18:38:43 GMT 2023 , Edited by admin on Fri Dec 15 18:38:43 GMT 2023
PRIMARY
FDA UNII
RM1CE97Z4N
Created by admin on Fri Dec 15 18:38:43 GMT 2023 , Edited by admin on Fri Dec 15 18:38:43 GMT 2023
PRIMARY
EVMPD
SUB21665
Created by admin on Fri Dec 15 18:38:43 GMT 2023 , Edited by admin on Fri Dec 15 18:38:43 GMT 2023
PRIMARY
DRUG BANK
DBSALT001483
Created by admin on Fri Dec 15 18:38:43 GMT 2023 , Edited by admin on Fri Dec 15 18:38:43 GMT 2023
PRIMARY
Related Record Type Details
ANHYDROUS->SOLVATE
PARENT -> SALT/SOLVATE
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ACTIVE MOIETY