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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H20N4O.ClH
Molecular Weight 356.849
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NIRAPARIB HYDROCHLORIDE

SMILES

Cl.NC(=O)C1=CC=CC2=CN(N=C12)C3=CC=C(C=C3)[C@@H]4CCCNC4

InChI

InChIKey=YXYDNYFWAFBCAN-PFEQFJNWSA-N
InChI=1S/C19H20N4O.ClH/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14;/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24);1H/t14-;/m1./s1

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 C19H20N4O
Molecular Weight 320.3883
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:08:41 UTC 2023
Edited
by admin
on Fri Dec 15 18:08:41 UTC 2023
Record UNII
L4JFC1PHCI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NIRAPARIB HYDROCHLORIDE
Common Name English
MK-4827 HYDROCHLORIDE
Code English
MK 4827 HYDROCHLORIDE
Code English
2H-INDAZOLE-7-CARBOXAMIDE, 2-(4-(3S)-3-PIPERIDINYLPHENYL)-, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
44550597
Created by admin on Fri Dec 15 18:08:41 UTC 2023 , Edited by admin on Fri Dec 15 18:08:41 UTC 2023
PRIMARY
DRUG BANK
DBSALT002076
Created by admin on Fri Dec 15 18:08:41 UTC 2023 , Edited by admin on Fri Dec 15 18:08:41 UTC 2023
PRIMARY
CAS
1038915-64-8
Created by admin on Fri Dec 15 18:08:41 UTC 2023 , Edited by admin on Fri Dec 15 18:08:41 UTC 2023
PRIMARY
EPA CompTox
DTXSID60146130
Created by admin on Fri Dec 15 18:08:41 UTC 2023 , Edited by admin on Fri Dec 15 18:08:41 UTC 2023
PRIMARY
FDA UNII
L4JFC1PHCI
Created by admin on Fri Dec 15 18:08:41 UTC 2023 , Edited by admin on Fri Dec 15 18:08:41 UTC 2023
PRIMARY
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ACTIVE MOIETY