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

Details

Stereochemistry ACHIRAL
Molecular Formula C29H29N5O4
Molecular Weight 511.5717
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of (3Z)-3-((4-(METHYL-(2-PIPERAZIN-1-YLACETYL)AMINO)ANILINO)-PHENYL-METHYLENE)-2-OXO-INDOLINE-6-CARBOXYLIC ACID

SMILES

CN(C(=O)CN1CCNCC1)C2=CC=C(N\C(=C3/C(=O)NC4=C3C=CC(=C4)C(O)=O)C5=CC=CC=C5)C=C2

InChI

InChIKey=AJHQASOPCNAARF-RQZHXJHFSA-N
InChI=1S/C29H29N5O4/c1-33(25(35)18-34-15-13-30-14-16-34)22-10-8-21(9-11-22)31-27(19-5-3-2-4-6-19)26-23-12-7-20(29(37)38)17-24(23)32-28(26)36/h2-12,17,30-31H,13-16,18H2,1H3,(H,32,36)(H,37,38)/b27-26-

HIDE SMILES / InChI

Molecular Formula C29H29N5O4
Molecular Weight 511.5717
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 20:10:10 UTC 2023
Edited
by admin
on Thu Jul 06 20:10:10 UTC 2023
Record UNII
GZ544M4ZP6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(3Z)-3-((4-(METHYL-(2-PIPERAZIN-1-YLACETYL)AMINO)ANILINO)-PHENYL-METHYLENE)-2-OXO-INDOLINE-6-CARBOXYLIC ACID
Systematic Name English
NINTEDANIB METABOLITE M4 (M/Z 512)
Common Name English
Code System Code Type Description
FDA UNII
GZ544M4ZP6
Created by admin on Thu Jul 06 20:10:10 UTC 2023 , Edited by admin on Thu Jul 06 20:10:10 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE