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

Details

Stereochemistry ABSOLUTE
Molecular Formula C14H12ClN3O3
Molecular Weight 305.716
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BMS-564929

SMILES

[H][C@@]12[C@H](O)CCN1C(=O)N(C2=O)C3=C(C)C(Cl)=C(C=C3)C#N

InChI

InChIKey=KEJORAMIZFOODM-PWSUYJOCSA-N
InChI=1S/C14H12ClN3O3/c1-7-9(3-2-8(6-16)11(7)15)18-13(20)12-10(19)4-5-17(12)14(18)21/h2-3,10,12,19H,4-5H2,1H3/t10-,12+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
BMS-564929
Common Name English
BENZONITRILE, 2-CHLORO-3-METHYL-4-((7R,7AS)-TETRAHYDRO-7-HYDROXY-1,3-DIOXO-1H-PYRROLO(1,2-C)IMIDAZOL-2(3H)-YL)-
Systematic Name English
Classification Tree Code System Code
WIKIPEDIA Designer-drugs-BMS-564929
Created by admin on Fri Dec 15 15:41:22 UTC 2023 , Edited by admin on Fri Dec 15 15:41:22 UTC 2023
Code System Code Type Description
CAS
627530-84-1
Created by admin on Fri Dec 15 15:41:22 UTC 2023 , Edited by admin on Fri Dec 15 15:41:22 UTC 2023
PRIMARY
PUBCHEM
9882972
Created by admin on Fri Dec 15 15:41:22 UTC 2023 , Edited by admin on Fri Dec 15 15:41:22 UTC 2023
PRIMARY
DRUG BANK
DB07286
Created by admin on Fri Dec 15 15:41:22 UTC 2023 , Edited by admin on Fri Dec 15 15:41:22 UTC 2023
PRIMARY
EPA CompTox
DTXSID50432357
Created by admin on Fri Dec 15 15:41:22 UTC 2023 , Edited by admin on Fri Dec 15 15:41:22 UTC 2023
PRIMARY
FDA UNII
9BLW27W4X7
Created by admin on Fri Dec 15 15:41:22 UTC 2023 , Edited by admin on Fri Dec 15 15:41:22 UTC 2023
PRIMARY