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Details

Stereochemistry ACHIRAL
Molecular Formula C29H27F3N6O.ClH
Molecular Weight 569.02
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PONATINIB HYDROCHLORIDE

SMILES

Cl.CN1CCN(CC2=CC=C(NC(=O)C3=CC=C(C)C(=C3)C#CC4=CN=C5C=CC=NN45)C=C2C(F)(F)F)CC1

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 ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula C29H27F3N6O
Molecular Weight 532.5595
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:20:08 UTC 2023
Edited
by admin
on Fri Dec 15 18:20:08 UTC 2023
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 [ORANGE BOOK]
Common Name English
Ponatinib hydrochloride [WHO-DD]
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 Dec 15 18:20:08 UTC 2023 , Edited by admin on Fri Dec 15 18:20:08 UTC 2023
NCI_THESAURUS C1742
Created by admin on Fri Dec 15 18:20:08 UTC 2023 , Edited by admin on Fri Dec 15 18:20:08 UTC 2023
EMA ASSESSMENT REPORTS ICLUSIG (AUTHORIZED: LEUKEMIA, LYMPHOID)
Created by admin on Fri Dec 15 18:20:08 UTC 2023 , Edited by admin on Fri Dec 15 18:20:08 UTC 2023
NCI_THESAURUS C155700
Created by admin on Fri Dec 15 18:20:08 UTC 2023 , Edited by admin on Fri Dec 15 18:20:08 UTC 2023
Code System Code Type Description
ChEMBL
CHEMBL1171837
Created by admin on Fri Dec 15 18:20:08 UTC 2023 , Edited by admin on Fri Dec 15 18:20:08 UTC 2023
PRIMARY
MERCK INDEX
m11700
Created by admin on Fri Dec 15 18:20:08 UTC 2023 , Edited by admin on Fri Dec 15 18:20:08 UTC 2023
PRIMARY
USAN
XX-35
Created by admin on Fri Dec 15 18:20:08 UTC 2023 , Edited by admin on Fri Dec 15 18:20:08 UTC 2023
PRIMARY
FDA UNII
96R6PU3D8J
Created by admin on Fri Dec 15 18:20:08 UTC 2023 , Edited by admin on Fri Dec 15 18:20:08 UTC 2023
PRIMARY
PUBCHEM
46908927
Created by admin on Fri Dec 15 18:20:08 UTC 2023 , Edited by admin on Fri Dec 15 18:20:08 UTC 2023
PRIMARY
EVMPD
SUB121686
Created by admin on Fri Dec 15 18:20:08 UTC 2023 , Edited by admin on Fri Dec 15 18:20:08 UTC 2023
PRIMARY
CAS
1114544-31-8
Created by admin on Fri Dec 15 18:20:08 UTC 2023 , Edited by admin on Fri Dec 15 18:20:08 UTC 2023
PRIMARY
RXCUI
1364953
Created by admin on Fri Dec 15 18:20:08 UTC 2023 , Edited by admin on Fri Dec 15 18:20:08 UTC 2023
PRIMARY RxNorm
EPA CompTox
DTXSID50149655
Created by admin on Fri Dec 15 18:20:08 UTC 2023 , Edited by admin on Fri Dec 15 18:20:08 UTC 2023
PRIMARY
DAILYMED
96R6PU3D8J
Created by admin on Fri Dec 15 18:20:08 UTC 2023 , Edited by admin on Fri Dec 15 18:20:08 UTC 2023
PRIMARY
NCI_THESAURUS
C78194
Created by admin on Fri Dec 15 18:20:08 UTC 2023 , Edited by admin on Fri Dec 15 18:20:08 UTC 2023
PRIMARY
DRUG BANK
DBSALT000142
Created by admin on Fri Dec 15 18:20:08 UTC 2023 , Edited by admin on Fri Dec 15 18:20:08 UTC 2023
PRIMARY
SMS_ID
100000144869
Created by admin on Fri Dec 15 18:20:08 UTC 2023 , Edited by admin on Fri Dec 15 18:20:08 UTC 2023
PRIMARY
Related Record Type Details
Structure of PONATINIB
PARENT -> SALT/SOLVATE
Related Record Type Details
Structure of IMIDAZO(1,2-B)PYRIDAZINE, 3-(2-(TRIMETHYLSILYL)ETHYNYL)-
IMPURITY -> PARENT
Related Record Type Details
Structure of PONATINIB
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
AUC 0-24 hrs PHARMACOKINETIC
Structure of PONATINIB
Dosage
PHARMACOKINETIC
Route of Adminstration
PHARMACOKINETIC
Tmax PHARMACOKINETIC
Structure of PONATINIB
Cmax PHARMACOKINETIC
Structure of PONATINIB
Dosage
PHARMACOKINETIC
Route of Administration
PHARMACOKINETIC
NIH
NCATS
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