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

Details

Stereochemistry ACHIRAL
Molecular Formula C30H31N5O4
Molecular Weight 525.5994
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of BIBF-1202

SMILES

CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4N=C3O)C(=O)O)/c5ccccc5

InChI

InChIKey=KEHNCEDHZGQSNP-DQSJHHFOSA-N
InChI=1S/C30H31N5O4/c1-33-14-16-35(17-15-33)19-26(36)34(2)23-11-9-22(10-12-23)31-28(20-6-4-3-5-7-20)27-24-13-8-21(30(38)39)18-25(24)32-29(27)37/h3-13,18,31H,14-17,19H2,1-2H3,(H,32,37)(H,38,39)/b28-27-

HIDE SMILES / InChI

Molecular Formula C30H31N5O4
Molecular Weight 525.5994
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 Fri Jun 25 20:33:42 UTC 2021
Edited
by admin
on Fri Jun 25 20:33:42 UTC 2021
Record UNII
LW8QB286HN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BIBF-1202
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-, (3Z)-
Systematic Name English
NINTEDANIB IMPURITY 6
Common Name English
NINTEDANIB CARBOXYLIC ACID
Common Name English
(3Z)-2,3-DIHYDRO-3-(((4-(METHYL(2-(4-METHYL-1-PIPERAZINYL)ACETYL)AMINO)PHENYL)AMINO)PHENYLMETHYLENE)-2-OXO-1H-INDOLE-6-CARBOXYLIC ACID
Systematic Name English
NINTEDANIB METABOLITE M1 (M/Z526)
Common Name English
Code System Code Type Description
CAS
894783-71-2
Created by admin on Fri Jun 25 20:33:42 UTC 2021 , Edited by admin on Fri Jun 25 20:33:42 UTC 2021
PRIMARY
FDA UNII
LW8QB286HN
Created by admin on Fri Jun 25 20:33:42 UTC 2021 , Edited by admin on Fri Jun 25 20:33:42 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
FECAL
PARENT -> METABOLITE
PLASMA
PARENT -> METABOLITE
URINE
Related Record Type Details
PARENT -> IMPURITY