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

Details

Stereochemistry ABSOLUTE
Molecular Formula C13H14N4O2
Molecular Weight 258.2759
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Veliparib lactam metabolite

SMILES

C[C@@]1(CCC(=O)N1)C2=NC3=C(N2)C=CC=C3C(N)=O

InChI

InChIKey=NAVOZIXRUWOAFW-CYBMUJFWSA-N
InChI=1S/C13H14N4O2/c1-13(6-5-9(18)17-13)12-15-8-4-2-3-7(11(14)19)10(8)16-12/h2-4H,5-6H2,1H3,(H2,14,19)(H,15,16)(H,17,18)/t13-/m1/s1

HIDE SMILES / InChI

Molecular Formula C13H14N4O2
Molecular Weight 258.2759
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 Sat Dec 16 19:20:48 GMT 2023
Edited
by admin
on Sat Dec 16 19:20:48 GMT 2023
Record UNII
S4XZG5Q57F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Veliparib lactam metabolite
Common Name English
Veliparib metabolite M8
Common Name English
2-[(2R)-2-Methyl-5-oxo-2-pyrrolidinyl]-1H-benzimidazole-7-carboxamide
Systematic Name English
1H-Benzimidazole-7-carboxamide, 2-[(2R)-2-methyl-5-oxo-2-pyrrolidinyl]-
Systematic Name English
Code System Code Type Description
FDA UNII
S4XZG5Q57F
Created by admin on Sat Dec 16 19:20:49 GMT 2023 , Edited by admin on Sat Dec 16 19:20:49 GMT 2023
PRIMARY
CAS
912444-70-3
Created by admin on Sat Dec 16 19:20:49 GMT 2023 , Edited by admin on Sat Dec 16 19:20:49 GMT 2023
PRIMARY
PUBCHEM
11959733
Created by admin on Sat Dec 16 19:20:49 GMT 2023 , Edited by admin on Sat Dec 16 19:20:49 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
5 fold less active than Veliparib in-vitro and 14 fold less active it cell assay.
Related Record Type Details
PARENT -> METABOLITE LESS ACTIVE