N-DESETHYLSUNITINIB

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H23FN4O2
Molecular Weight	370.4206
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCNCCNC(=O)C1=C(C)NC(\C=C2/C(=O)NC3=C2C=C(F)C=C3)=C1C

InChI

InChIKey=LIZNIAKSBJKPQC-GDNBJRDFSA-N

InChI=1S/C20H23FN4O2/c1-4-22-7-8-23-20(27)18-11(2)17(24-12(18)3)10-15-14-9-13(21)5-6-16(14)25-19(15)26/h5-6,9-10,22,24H,4,7-8H2,1-3H3,(H,23,27)(H,25,26)/b15-10-

HIDE SMILES / InChI

Molecular Formula	C20H23FN4O2
Molecular Weight	370.4206
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 08:17:38 UTC 2023` Edited by `admin` on `Sat Dec 16 08:17:38 UTC 2023`
Record UNII	42LJ35612R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-DESETHYLSUNITINIB

Common Name

English

1H-PYRROLE-3-CARBOXAMIDE, N-(2-(ETHYLAMINO)ETHYL)-5-((Z)-(5-FLUORO-1,2-DIHYDRO-2-OXO-3H-INDOL-3-YLIDENE)METHYL)-2,4-DIMETHYL-

Systematic Name

English

SU-12662

Code

English

N-(2-(ETHYLAMINO)ETHYL)-5-((Z)-(5-FLUORO-1,2-DIHYDRO-2-OXO-3H-INDOL-3-YLIDENE)METHYL)-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE

Systematic Name

English

Code System Code Type Description

CAS

356068-97-8

Created by admin on Sat Dec 16 08:17:38 UTC 2023 , Edited by admin on Sat Dec 16 08:17:38 UTC 2023

PRIMARY

EPA CompTox

DTXSID10437828

Created by admin on Sat Dec 16 08:17:38 UTC 2023 , Edited by admin on Sat Dec 16 08:17:38 UTC 2023

PRIMARY

PUBCHEM

10292573

Created by admin on Sat Dec 16 08:17:38 UTC 2023 , Edited by admin on Sat Dec 16 08:17:38 UTC 2023

PRIMARY

FDA UNII

42LJ35612R

Created by admin on Sat Dec 16 08:17:38 UTC 2023 , Edited by admin on Sat Dec 16 08:17:38 UTC 2023

PRIMARY

Related Record Type Details


					V99T50803M

SUNITINIB

PARENT -> METABOLITE ACTIVE

Interaction Type:

MAJOR

Qualification:

FECAL; PLASMA; URINE