PHA-782584

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H28N4O3
Molecular Weight	396.4827
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCN(CC)CCNC(=O)C1=C(C)NC(\C=C2/C(=O)NC3=CC=C(O)C=C23)=C1C

InChI

InChIKey=YBNMTJYLJWAMGJ-ATVHPVEESA-N

InChI=1S/C22H28N4O3/c1-5-26(6-2)10-9-23-22(29)20-13(3)19(24-14(20)4)12-17-16-11-15(27)7-8-18(16)25-21(17)28/h7-8,11-12,24,27H,5-6,9-10H2,1-4H3,(H,23,29)(H,25,28)/b17-12-

HIDE SMILES / InChI

Molecular Formula	C22H28N4O3
Molecular Weight	396.4827
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Oct 22 18:10:48 UTC 2019` Edited by `admin` on `Tue Oct 22 18:10:48 UTC 2019`
Record UNII	4MK76GX29B
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PHA-782584

Common Name

English

SUNITINIB METABOLITE M8

Common Name

English

N-(2-DIETHYLAMINOETHYL)-5-((Z)-(5-HYDROXY-2-OXO-INDOLIN-3-YLIDENE)METHYL)-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

PUBCHEM

71540360

Created by admin on Tue Oct 22 18:10:48 UTC 2019 , Edited by admin on Tue Oct 22 18:10:48 UTC 2019

PRIMARY

CAS

1126899-61-3

Created by admin on Tue Oct 22 18:10:48 UTC 2019 , Edited by admin on Tue Oct 22 18:10:48 UTC 2019

PRIMARY

Related Record Type Details


					V99T50803M

SUNITINIB

PARENT -> METABOLITE INACTIVE

Qualification:

URINE