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Details

Stereochemistry ACHIRAL
Molecular Formula C29H27F3N6O.ClH
Molecular Weight 569.0215
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PONATINIB HYDROCHLORIDE

SMILES

Cc1ccc(cc1C#Cc2cnc3cccnn23)C(=O)Nc4ccc(CN5CCN(C)CC5)c(c4)C(F)(F)F.Cl

InChI

InChIKey=BWTNNZPNKQIADY-UHFFFAOYSA-N
InChI=1S/C29H27F3N6O.ClH/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37;/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39);1H

HIDE SMILES / InChI

Molecular Formula C29H27F3N6O
Molecular Weight 532.5606
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula ClH
Molecular Weight 36.4609
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Ponatinib (trade name Iclusig, previously AP24534) is developed by ARIAD Pharmaceuticals for the treatment of chronic myeloid leukemia (CML) and Philadelphia chromosome–positive (Ph ) acute lymphoblastic leukemia (ALL). Ponatinib has been designed to be effective against these types of tumors. The United States Food and Drug Administration approved the drug as a candidate in 2012, but temporarily suspended sales on 31 October 2013 because of "the risk of life-threatening blood clots and severe narrowing of blood vessels". This suspension was partially lifted on Dec. 20, 2013 with ponatinib being issued revised prescribing information, a new "Black Box Warning" and a "Risk Evaluation and Mitigation Strategy" in place to better evaluate the risks and benefits of using the drug. Ponatinib is an orally bioavailable multitargeted receptor tyrosine kinase (RTK) inhibitor with potential antiangiogenic and antineoplastic activities. Ponatinib inhibits unmutated and all mutated forms of Bcr-Abl, including T315I, the highly drug therapy-resistant missense mutation of Bcr-Abl. This agent also inhibits other tyrosine kinases including those associated with vascular endothelial growth factor receptors (VEGFRs) and fibroblast growth factor receptors (FGFRs); in addition, it inhibits the tyrosine kinase receptor TIE2 and FMS-related tyrosine kinase receptor-3 (Flt3). RTK inhibition by ponatinib may result in the inhibition of cellular proliferation and angiogenesis and may induce cell death. Bcr-Abl is a fusion tyrosine kinase encoded by the Philadelphia chromosome.

CNS Activity

Originator

Approval Year

Targets

Targets

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Iclusig

Approved Use

To treat adults with chronic myeloid leukemia (CML) and Philadelphia chromosome positive acute lymphoblastic leukemia (Ph+ ALL), two rare blood and bone marrow diseases.

Launch Date

1601942400000
Inactive Ingredient

Approved Use

To treat adults with chronic myeloid leukemia (CML) and Philadelphia chromosome positive acute lymphoblastic leukemia (Ph ALL), two rare blood and bone marrow diseases.

Launch Date

1360627200000
Cmax

Cmax

ValueDoseCo-administeredAnalytePopulation
183.1 OTHER
60 OTHER 1 times / OTHER multiple, other
dose: 60 OTHER
route of administration: OTHER
experiment type: MULTIPLE
co-administered:
PONATINIB blood
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
73 ng/mL
45 mg 1 times / OTHER multiple, oral
dose: 45 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
PONATINIB unknown
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: UNKNOWN
73 ng/mL
45 mg 1 times / OTHER multiple, oral
dose: 45 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
IMATINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
AUC

AUC

ValueDoseCo-administeredAnalytePopulation
2856 OTHER
60 OTHER 1 times / OTHER multiple, other
dose: 60 OTHER
route of administration: OTHER
experiment type: MULTIPLE
co-administered:
PONATINIB blood
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
1253 ng × h/mL
45 mg 1 times / OTHER multiple, oral
dose: 45 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
PONATINIB unknown
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: UNKNOWN
1253 ng × h/mL
45 mg 1 times / OTHER multiple, oral
dose: 45 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
IMATINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
T1/2

T1/2

ValueDoseCo-administeredAnalytePopulation
19.7 OTHER
60 OTHER 1 times / OTHER multiple, other
dose: 60 OTHER
route of administration: OTHER
experiment type: MULTIPLE
co-administered:
PONATINIB blood
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
24 h
45 mg 1 times / OTHER multiple, oral
dose: 45 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
IMATINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
Funbound

Funbound

ValueDoseCo-administeredAnalytePopulation
1%
45 mg 1 times / OTHER multiple, oral
dose: 45 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
PONATINIB unknown
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: UNKNOWN
1%
45 mg 1 times / OTHER multiple, oral
dose: 45 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
IMATINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
Doses

Doses

DosePopulationAdverse events​
60 mg 1 times / day multiple, oral
Dose: 60 mg, 1 times / day
Route: oral
Route: multiple
Dose: 60 mg, 1 times / day
Sources:
unhealthy, NEWBORN,CHILD
DLT: Aspartate aminotransferase increased, Blood amylase increased...
Other AEs: Hepatic enz, Alanine aminotransferase decreased...
Dose limiting toxicities:
Aspartate aminotransferase increased (grade 3, 1 patient)
Blood amylase increased (grade 3-4, 4 patients)
Lipase increased (grade 3-4, 4 patients)
Alanine aminotransferase increased (grade 3, 1 patient)
Fatigue (grade 3, 1 patient)
Other AEs:
Hepatic enz (5 patients)
Alanine aminotransferase decreased
Diarrhea
ALT increased
Sources:
45 mg 1 times / day steady, oral
MTD,Overdose
Dose: 45 mg, 1 times / day
Route: oral
Route: steady
Dose: 45 mg, 1 times / day
Sources:
unhealthy
Disc. AE: Thrombocytopenia, Neutropenia...
AEs leading to
discontinuation/dose reduction:
Thrombocytopenia (30%)
Neutropenia (13%)
Lipase increased (12%)
Rash (11%)
Abdominal pain (11%)
Pancreatitis (6%)
ALT increased (6%)
AST increased (6%)
GGT increased (6%)
Myocardial ischemia (serious, 5%)
Arterial thrombosis (serious, 34 patients)
Ischemia cerebral (serious, 8 patients)
Peripheral arterial ischemia (serious, 7 patients)
Arterial stenosis (serious, 5%)
Myocardial infarction (serious, 14 patients)
Cerebrovascular event (serious, 2%)
Extremity necrosis (serious, 3 patients)
Thrombocytopenia (4%)
Infection (1%)
Sources:
45 mg 1 times / day multiple, oral
Recommended,MTD
Dose: 45 mg, 1 times / day
Route: oral
Route: multiple
Dose: 45 mg, 1 times / day
Sources:
unhealthy
DLT: Rash maculo-papular...
Dose limiting toxicities:
Rash maculo-papular (grade 3, 1 patient)
Sources:
60 mg multiple, oral
Dose: 60 mg
Route: oral
Route: multiple
Dose: 60 mg
Sources:
unhealthy
Disc. AE: Ischemia, Diarrhea...
AEs leading to
discontinuation/dose reduction:
Ischemia (serious, 4 patients)
Diarrhea
Sources:
AEs

AEs

AESignificanceDosePopulation
ALT increased
60 mg 1 times / day multiple, oral
Dose: 60 mg, 1 times / day
Route: oral
Route: multiple
Dose: 60 mg, 1 times / day
Sources:
unhealthy, NEWBORN,CHILD
Alanine aminotransferase decreased
60 mg 1 times / day multiple, oral
Dose: 60 mg, 1 times / day
Route: oral
Route: multiple
Dose: 60 mg, 1 times / day
Sources:
unhealthy, NEWBORN,CHILD
Diarrhea
60 mg 1 times / day multiple, oral
Dose: 60 mg, 1 times / day
Route: oral
Route: multiple
Dose: 60 mg, 1 times / day
Sources:
unhealthy, NEWBORN,CHILD
Hepatic enz 5 patients
60 mg 1 times / day multiple, oral
Dose: 60 mg, 1 times / day
Route: oral
Route: multiple
Dose: 60 mg, 1 times / day
Sources:
unhealthy, NEWBORN,CHILD
Alanine aminotransferase increased grade 3, 1 patient
DLT
60 mg 1 times / day multiple, oral
Dose: 60 mg, 1 times / day
Route: oral
Route: multiple
Dose: 60 mg, 1 times / day
Sources:
unhealthy, NEWBORN,CHILD
Aspartate aminotransferase increased grade 3, 1 patient
DLT
60 mg 1 times / day multiple, oral
Dose: 60 mg, 1 times / day
Route: oral
Route: multiple
Dose: 60 mg, 1 times / day
Sources:
unhealthy, NEWBORN,CHILD
Fatigue grade 3, 1 patient
DLT
60 mg 1 times / day multiple, oral
Dose: 60 mg, 1 times / day
Route: oral
Route: multiple
Dose: 60 mg, 1 times / day
Sources:
unhealthy, NEWBORN,CHILD
Blood amylase increased grade 3-4, 4 patients
DLT
60 mg 1 times / day multiple, oral
Dose: 60 mg, 1 times / day
Route: oral
Route: multiple
Dose: 60 mg, 1 times / day
Sources:
unhealthy, NEWBORN,CHILD
Lipase increased grade 3-4, 4 patients
DLT
60 mg 1 times / day multiple, oral
Dose: 60 mg, 1 times / day
Route: oral
Route: multiple
Dose: 60 mg, 1 times / day
Sources:
unhealthy, NEWBORN,CHILD
Infection 1%
Disc. AE
45 mg 1 times / day steady, oral
MTD,Overdose
Dose: 45 mg, 1 times / day
Route: oral
Route: steady
Dose: 45 mg, 1 times / day
Sources:
unhealthy
Abdominal pain 11%
Disc. AE
45 mg 1 times / day steady, oral
MTD,Overdose
Dose: 45 mg, 1 times / day
Route: oral
Route: steady
Dose: 45 mg, 1 times / day
Sources:
unhealthy
Rash 11%
Disc. AE
45 mg 1 times / day steady, oral
MTD,Overdose
Dose: 45 mg, 1 times / day
Route: oral
Route: steady
Dose: 45 mg, 1 times / day
Sources:
unhealthy
Lipase increased 12%
Disc. AE
45 mg 1 times / day steady, oral
MTD,Overdose
Dose: 45 mg, 1 times / day
Route: oral
Route: steady
Dose: 45 mg, 1 times / day
Sources:
unhealthy
Neutropenia 13%
Disc. AE
45 mg 1 times / day steady, oral
MTD,Overdose
Dose: 45 mg, 1 times / day
Route: oral
Route: steady
Dose: 45 mg, 1 times / day
Sources:
unhealthy
Thrombocytopenia 30%
Disc. AE
45 mg 1 times / day steady, oral
MTD,Overdose
Dose: 45 mg, 1 times / day
Route: oral
Route: steady
Dose: 45 mg, 1 times / day
Sources:
unhealthy
Thrombocytopenia 4%
Disc. AE
45 mg 1 times / day steady, oral
MTD,Overdose
Dose: 45 mg, 1 times / day
Route: oral
Route: steady
Dose: 45 mg, 1 times / day
Sources:
unhealthy
ALT increased 6%
Disc. AE
45 mg 1 times / day steady, oral
MTD,Overdose
Dose: 45 mg, 1 times / day
Route: oral
Route: steady
Dose: 45 mg, 1 times / day
Sources:
unhealthy
AST increased 6%
Disc. AE
45 mg 1 times / day steady, oral
MTD,Overdose
Dose: 45 mg, 1 times / day
Route: oral
Route: steady
Dose: 45 mg, 1 times / day
Sources:
unhealthy
GGT increased 6%
Disc. AE
45 mg 1 times / day steady, oral
MTD,Overdose
Dose: 45 mg, 1 times / day
Route: oral
Route: steady
Dose: 45 mg, 1 times / day
Sources:
unhealthy
Pancreatitis 6%
Disc. AE
45 mg 1 times / day steady, oral
MTD,Overdose
Dose: 45 mg, 1 times / day
Route: oral
Route: steady
Dose: 45 mg, 1 times / day
Sources:
unhealthy
Myocardial infarction serious, 14 patients
Disc. AE
45 mg 1 times / day steady, oral
MTD,Overdose
Dose: 45 mg, 1 times / day
Route: oral
Route: steady
Dose: 45 mg, 1 times / day
Sources:
unhealthy
Cerebrovascular event serious, 2%
Disc. AE
45 mg 1 times / day steady, oral
MTD,Overdose
Dose: 45 mg, 1 times / day
Route: oral
Route: steady
Dose: 45 mg, 1 times / day
Sources:
unhealthy
Extremity necrosis serious, 3 patients
Disc. AE
45 mg 1 times / day steady, oral
MTD,Overdose
Dose: 45 mg, 1 times / day
Route: oral
Route: steady
Dose: 45 mg, 1 times / day
Sources:
unhealthy
Arterial thrombosis serious, 34 patients
Disc. AE
45 mg 1 times / day steady, oral
MTD,Overdose
Dose: 45 mg, 1 times / day
Route: oral
Route: steady
Dose: 45 mg, 1 times / day
Sources:
unhealthy
Arterial stenosis serious, 5%
Disc. AE
45 mg 1 times / day steady, oral
MTD,Overdose
Dose: 45 mg, 1 times / day
Route: oral
Route: steady
Dose: 45 mg, 1 times / day
Sources:
unhealthy
Myocardial ischemia serious, 5%
Disc. AE
45 mg 1 times / day steady, oral
MTD,Overdose
Dose: 45 mg, 1 times / day
Route: oral
Route: steady
Dose: 45 mg, 1 times / day
Sources:
unhealthy
Peripheral arterial ischemia serious, 7 patients
Disc. AE
45 mg 1 times / day steady, oral
MTD,Overdose
Dose: 45 mg, 1 times / day
Route: oral
Route: steady
Dose: 45 mg, 1 times / day
Sources:
unhealthy
Ischemia cerebral serious, 8 patients
Disc. AE
45 mg 1 times / day steady, oral
MTD,Overdose
Dose: 45 mg, 1 times / day
Route: oral
Route: steady
Dose: 45 mg, 1 times / day
Sources:
unhealthy
Rash maculo-papular grade 3, 1 patient
DLT
45 mg 1 times / day multiple, oral
Recommended,MTD
Dose: 45 mg, 1 times / day
Route: oral
Route: multiple
Dose: 45 mg, 1 times / day
Sources:
unhealthy
Diarrhea Disc. AE
60 mg multiple, oral
Dose: 60 mg
Route: oral
Route: multiple
Dose: 60 mg
Sources:
unhealthy
Ischemia serious, 4 patients
Disc. AE
60 mg multiple, oral
Dose: 60 mg
Route: oral
Route: multiple
Dose: 60 mg
Sources:
unhealthy
OverviewDrug as perpetrator​

Drug as perpetrator​

TargetModalityActivityMetaboliteClinical evidence
little [IC50 10.8 uM]
little [IC50 11.6 uM]
little [IC50 13.3 uM]
little [IC50 5.2 uM]
little [IC50 5.6 uM]
little [IC50 6.1 uM]
little [IC50 8.3 uM]
no
no
no
no
no
no
yes [Activation 0.6 uM]
yes [IC50 0.013 uM]
yes [IC50 0.49 uM]
yes [IC50 32 uM]
Drug as victimTox targets

Tox targets

PubMed

PubMed

TitleDatePubMed
Inhibitors of ABL and the ABL-T315I mutation.
2008
Discovery of 3-[2-(imidazo[1,2-b]pyridazin-3-yl)ethynyl]-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide (AP24534), a potent, orally active pan-inhibitor of breakpoint cluster region-abelson (BCR-ABL) kinase including the T315I gatekeeper mutant.
2010 Jun 24
Discovery of 5-(arenethynyl) hetero-monocyclic derivatives as potent inhibitors of BCR-ABL including the T315I gatekeeper mutant.
2011 Jun 15
Discovery of 5-(arenethynyl) hetero-monocyclic derivatives as potent inhibitors of BCR-ABL including the T315I gatekeeper mutant.
2011 Jun 15
The BCR-ABL35INS insertion/truncation mutant is kinase-inactive and does not contribute to tyrosine kinase inhibitor resistance in chronic myeloid leukemia.
2011 Nov 10
The BCR-ABL35INS insertion/truncation mutant is kinase-inactive and does not contribute to tyrosine kinase inhibitor resistance in chronic myeloid leukemia.
2011 Nov 10
Ponatinib (AP24534), a multitargeted pan-FGFR inhibitor with activity in multiple FGFR-amplified or mutated cancer models.
2012 Mar
The ins and outs of bcr-abl inhibition.
2012 May
Ponatinib as targeted therapy for FGFR1 fusions associated with the 8p11 myeloproliferative syndrome.
2013 Jan
Ponatinib suppresses the development of myeloid and lymphoid malignancies associated with FGFR1 abnormalities.
2013 Jan
Ponatinib as targeted therapy for FGFR1 fusions associated with the 8p11 myeloproliferative syndrome.
2013 Jan
Ponatinib suppresses the development of myeloid and lymphoid malignancies associated with FGFR1 abnormalities.
2013 Jan
BET protein antagonist JQ1 is synergistically lethal with FLT3 tyrosine kinase inhibitor (TKI) and overcomes resistance to FLT3-TKI in AML cells expressing FLT-ITD.
2014 Oct
A selective chemical probe for exploring the role of CDK8 and CDK19 in human disease.
2015 Dec
Patents

Sample Use Guides

In Vivo Use Guide
Sources: uri2
Curator's Comment:: comment
45 mg taken orally once daily with or without food
Route of Administration: Oral
In Vitro Use Guide
Ponatinib inhibited the in vitro tyrosine kinase activity of ABL and T315I mutant ABL with IC50 concentrations of 0.4 and 2.0 nM, respectively. Ponatinib inhibited the in vitro activity of additional kinases with IC50 concentrations between 0.1 and 20 nM, including members of the VEGFR, PDGFR, FGFR, EPH receptors and SRC families of kinases, and KIT, RET, TIE2, and FLT3. Ponatinib inhibited the in vitro viability of cells expressing native or mutant BCR-ABL, including T315I.
Substance Class Chemical
Created
by admin
on Fri Jun 25 20:34:38 UTC 2021
Edited
by admin
on Fri Jun 25 20:34:38 UTC 2021
Record UNII
96R6PU3D8J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PONATINIB HYDROCHLORIDE
ORANGE BOOK   USAN   WHO-DD  
USAN  
Official Name English
PONATINIB HYDROCHLORIDE [JAN]
Common Name English
3-(2-(IMIDAZO(1,2-B)PYRIDAZIN-3-YL)ETHYNYL)-4-METHYL-N-(4-((4-METHYLPIPERAZIN-1- YL)METHYL)-3-(TRIFLUOROMETHYL)PHENYL)BENZAMIDE MONOHYDROCHLORIDE
Systematic Name English
BENZAMIDE, 3-(2-IMIDAZO(1,2-B)PYRIDAZIN-3-YLETHYNYL)-4-METHYL-N-(4-((4-METHYL-1- PIPERAZINYL)METHYL)-3-(TRIFLUOROMETHYL)PHENYL)-, HYDROCHLORIDE (1:1)
Systematic Name English
ICLUSIG
Brand Name English
AP24534 HCL
Code English
AP-24534 HCL
Code English
PONATINIB HYDROCHLORIDE [WHO-DD]
Common Name English
PONATINIB HYDROCHLORIDE [ORANGE BOOK]
Common Name English
PONATINIB HYDROCHLORIDE [USAN]
Common Name English
PONATINIB HYDROCHLORIDE [MI]
Common Name English
Classification Tree Code System Code
EU-Orphan Drug EU/3/14/1421
Created by admin on Fri Jun 25 20:34:38 UTC 2021 , Edited by admin on Fri Jun 25 20:34:38 UTC 2021
NCI_THESAURUS C1742
Created by admin on Fri Jun 25 20:34:38 UTC 2021 , Edited by admin on Fri Jun 25 20:34:38 UTC 2021
EMA ASSESSMENT REPORTS ICLUSIG (AUTHORIZED: LEUKEMIA, LYMPHOID)
Created by admin on Fri Jun 25 20:34:38 UTC 2021 , Edited by admin on Fri Jun 25 20:34:38 UTC 2021
NCI_THESAURUS C155700
Created by admin on Fri Jun 25 20:34:38 UTC 2021 , Edited by admin on Fri Jun 25 20:34:38 UTC 2021
Code System Code Type Description
ChEMBL
CHEMBL1171837
Created by admin on Fri Jun 25 20:34:38 UTC 2021 , Edited by admin on Fri Jun 25 20:34:38 UTC 2021
PRIMARY
MERCK INDEX
M11700
Created by admin on Fri Jun 25 20:34:38 UTC 2021 , Edited by admin on Fri Jun 25 20:34:38 UTC 2021
PRIMARY
FDA UNII
96R6PU3D8J
Created by admin on Fri Jun 25 20:34:38 UTC 2021 , Edited by admin on Fri Jun 25 20:34:38 UTC 2021
PRIMARY
PUBCHEM
46908927
Created by admin on Fri Jun 25 20:34:38 UTC 2021 , Edited by admin on Fri Jun 25 20:34:38 UTC 2021
PRIMARY
EVMPD
SUB121686
Created by admin on Fri Jun 25 20:34:38 UTC 2021 , Edited by admin on Fri Jun 25 20:34:38 UTC 2021
PRIMARY
CAS
1114544-31-8
Created by admin on Fri Jun 25 20:34:38 UTC 2021 , Edited by admin on Fri Jun 25 20:34:38 UTC 2021
PRIMARY
RXCUI
1364953
Created by admin on Fri Jun 25 20:34:38 UTC 2021 , Edited by admin on Fri Jun 25 20:34:38 UTC 2021
PRIMARY RxNorm
EPA CompTox
1114544-31-8
Created by admin on Fri Jun 25 20:34:38 UTC 2021 , Edited by admin on Fri Jun 25 20:34:38 UTC 2021
PRIMARY
NCI_THESAURUS
C78194
Created by admin on Fri Jun 25 20:34:38 UTC 2021 , Edited by admin on Fri Jun 25 20:34:38 UTC 2021
PRIMARY
DRUG BANK
DBSALT000142
Created by admin on Fri Jun 25 20:34:38 UTC 2021 , Edited by admin on Fri Jun 25 20:34:38 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
IMPURITY -> PARENT
Related Record Type Details
ACTIVE MOIETY