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

Details

Stereochemistry ACHIRAL
Molecular Formula C23H24N6O.C6H8O7
Molecular Weight 592.5998
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NESUPARIB MONOCITRATE

SMILES

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

InChI

InChIKey=KQYIBWDRHVPYQR-UHFFFAOYSA-N
InChI=1S/C23H24N6O.C6H8O7/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;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-6,12,14,25H,1-2,7-11,15H2,(H,27,30);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

HIDE SMILES / InChI

Molecular Formula C6H8O7
Molecular Weight 192.1235
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C23H24N6O
Molecular Weight 400.4763
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:58:43 GMT 2023
Edited
by admin
on Sat Dec 16 18:58:43 GMT 2023
Record UNII
5GB5K3SD5Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NESUPARIB MONOCITRATE
Common Name English
6-(4-((5-OXO-1,2,3,4,5,6-HEXAHYDROBENZO(H)(1,6)NAPHTHYRIDIN-8-YL)METHYL)PIPERAZIN-1-YL)NICOTINONITRILE MONOCITRATE
Systematic Name English
JPI-547 MONOCITRATE
Code English
Classification Tree Code System Code
FDA ORPHAN DRUG 802220
Created by admin on Sat Dec 16 18:58:44 GMT 2023 , Edited by admin on Sat Dec 16 18:58:44 GMT 2023
Code System Code Type Description
FDA UNII
5GB5K3SD5Y
Created by admin on Sat Dec 16 18:58:44 GMT 2023 , Edited by admin on Sat Dec 16 18:58:44 GMT 2023
PRIMARY
PUBCHEM
162368456
Created by admin on Sat Dec 16 18:58:44 GMT 2023 , Edited by admin on Sat Dec 16 18:58:44 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY