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

Details

Stereochemistry ACHIRAL
Molecular Formula C32H35N5O4
Molecular Weight 553.6514
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ETHYL (3Z)-2,3-DIHYDRO-3-(((4-(METHYL(2-(4-METHYL-1-PIPERAZINYL)ACETYL)AMINO)PHENYL)AMINO)PHENYLMETHYLENE)-2-OXO-1H-INDOLE-6-CARBOXYLATE

SMILES

CCOC(=O)C1=CC2=C(C=C1)\C(C(=O)N2)=C(\NC3=CC=C(C=C3)N(C)C(=O)CN4CCN(C)CC4)C5=CC=CC=C5

InChI

InChIKey=NWLAETZIQCOVOQ-FLWNBWAVSA-N
InChI=1S/C32H35N5O4/c1-4-41-32(40)23-10-15-26-27(20-23)34-31(39)29(26)30(22-8-6-5-7-9-22)33-24-11-13-25(14-12-24)36(3)28(38)21-37-18-16-35(2)17-19-37/h5-15,20,33H,4,16-19,21H2,1-3H3,(H,34,39)/b30-29-

HIDE SMILES / InChI

Molecular Formula C32H35N5O4
Molecular Weight 553.6514
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 Sat Dec 16 16:57:27 GMT 2023
Edited
by admin
on Sat Dec 16 16:57:27 GMT 2023
Record UNII
J2KV5X64YA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ETHYL (3Z)-2,3-DIHYDRO-3-(((4-(METHYL(2-(4-METHYL-1-PIPERAZINYL)ACETYL)AMINO)PHENYL)AMINO)PHENYLMETHYLENE)-2-OXO-1H-INDOLE-6-CARBOXYLATE
Common Name English
1H-INDOLE-6-CARBOXYLIC ACID, 2,3-DIHYDRO-3-(((4-(METHYL(2-(4-METHYL-1-PIPERAZINYL)ACETYL)AMINO)PHENYL)AMINO)PHENYLMETHYLENE)-2-OXO-, ETHYL ESTER, (3Z)-
Common Name English
NINTEDANIB IMPURITY 24
Common Name English
NINTEDANIB IMPURITY D
Common Name English
Code System Code Type Description
FDA UNII
J2KV5X64YA
Created by admin on Sat Dec 16 16:57:27 GMT 2023 , Edited by admin on Sat Dec 16 16:57:27 GMT 2023
PRIMARY
CAS
1139455-52-9
Created by admin on Sat Dec 16 16:57:27 GMT 2023 , Edited by admin on Sat Dec 16 16:57:27 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY