1H-INDOLE-6-CARBOXYLIC ACID, 2,3-DIHYDRO-3-(((4-(METHYL(2-(1-PIPERAZINYL)ACETYL)AMINO)PHENYL)AMINO)PHENYLMETHYLENE)-2-OXO-, METHYL ESTER, (3Z)-

Details

Stereochemistry	ACHIRAL
Molecular Formula	C30H31N5O4
Molecular Weight	525.5982
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 1H-INDOLE-6-CARBOXYLIC ACID, 2,3-DIHYDRO-3-(((4-(METHYL(2-(1-PIPERAZINYL)ACETYL)AMINO)PHENYL)AMINO)PHENYLMETHYLENE)-2-OXO-, METHYL ESTER, (3Z)-

Structure Search

SMILES

COC(=O)C1=CC2=C(C=C1)\C(C(=O)N2)=C(\NC3=CC=C(C=C3)N(C)C(=O)CN4CCNCC4)C5=CC=CC=C5

InChI

InChIKey=STMBVXYQKYKAOW-DQSJHHFOSA-N

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

HIDE SMILES / InChI

Molecular Formula	C30H31N5O4
Molecular Weight	525.5982
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 15:13:05 UTC 2023` Edited by `admin` on `Sat Dec 16 15:13:05 UTC 2023`
Record UNII	3TK2E45UHG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1H-INDOLE-6-CARBOXYLIC ACID, 2,3-DIHYDRO-3-(((4-(METHYL(2-(1-PIPERAZINYL)ACETYL)AMINO)PHENYL)AMINO)PHENYLMETHYLENE)-2-OXO-, METHYL ESTER, (3Z)-

Systematic Name

English

NINTEDANIB METABOLITE M3 (M/Z 526)

Common Name

English

BIBF1053

Common Name

English

Code System Code Type Description

FDA UNII

3TK2E45UHG

Created by admin on Sat Dec 16 15:13:05 UTC 2023 , Edited by admin on Sat Dec 16 15:13:05 UTC 2023

PRIMARY

CAS

334951-61-0

Created by admin on Sat Dec 16 15:13:05 UTC 2023 , Edited by admin on Sat Dec 16 15:13:05 UTC 2023

PRIMARY

Related Record Type Details


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NINTEDANIB

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Qualification:

FECAL

Amount: