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

Details

Stereochemistry ACHIRAL
Molecular Formula C23H24N6O
Molecular Weight 400.4763
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NESUPARIB

SMILES

O=C1NC2=CC(CN3CCN(CC3)C4=NC=C(C=C4)C#N)=CC=C2C5=C1CCCN5

InChI

InChIKey=GRPXLKXGJAGYSD-UHFFFAOYSA-N
InChI=1S/C23H24N6O/c24-13-17-4-6-21(26-14-17)29-10-8-28(9-11-29)15-16-3-5-18-20(12-16)27-23(30)19-2-1-7-25-22(18)19/h3-6,12,14,25H,1-2,7-11,15H2,(H,27,30)

HIDE SMILES / InChI

Approval Year

Name Type Language
NESUPARIB
INN  
Official Name English
JPI547
Code English
6-(4-((5-OXO-1,2,3,4,5,6-HEXAHYDROBENZO(H)(1,6)NAPHTHYRIDIN-8-YL)METHYL)PIPERAZIN-1-YL)NICOTINONITRILE
Systematic Name English
JPI 547 [WHO-DD]
Common Name English
nesuparib [INN]
Common Name English
JPI-547
Code English
Code System Code Type Description
FDA UNII
U6N7333GDW
Created by admin on Sat Dec 16 18:55:19 GMT 2023 , Edited by admin on Sat Dec 16 18:55:19 GMT 2023
PRIMARY
SMS_ID
300000042096
Created by admin on Sat Dec 16 18:55:19 GMT 2023 , Edited by admin on Sat Dec 16 18:55:19 GMT 2023
PRIMARY
CAS
2055357-64-5
Created by admin on Sat Dec 16 18:55:19 GMT 2023 , Edited by admin on Sat Dec 16 18:55:19 GMT 2023
PRIMARY
NCI_THESAURUS
C187049
Created by admin on Sat Dec 16 18:55:19 GMT 2023 , Edited by admin on Sat Dec 16 18:55:19 GMT 2023
PRIMARY
PUBCHEM
124134768
Created by admin on Sat Dec 16 18:55:19 GMT 2023 , Edited by admin on Sat Dec 16 18:55:19 GMT 2023
PRIMARY
INN
11953
Created by admin on Sat Dec 16 18:55:19 GMT 2023 , Edited by admin on Sat Dec 16 18:55:19 GMT 2023
PRIMARY