PHA-782584

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H28N4O3
Molecular Weight	396.4836
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCN(CC)CCN=C(c1c(C)c(/C(/[H])=C\2/c3cc(ccc3N=C2O)O)[nH]c1C)O

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	396.4836
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 `Fri Jun 25 23:42:16 UTC 2021` Edited by `admin` on `Fri Jun 25 23:42:16 UTC 2021`
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 Fri Jun 25 23:42:16 UTC 2021 , Edited by admin on Fri Jun 25 23:42:16 UTC 2021

PRIMARY

FDA UNII

4MK76GX29B

Created by admin on Fri Jun 25 23:42:16 UTC 2021 , Edited by admin on Fri Jun 25 23:42:16 UTC 2021

PRIMARY

CAS

1126899-61-3

Created by admin on Fri Jun 25 23:42:16 UTC 2021 , Edited by admin on Fri Jun 25 23:42:16 UTC 2021

PRIMARY

Related Record Type Details


					V99T50803M

SUNITINIB

PARENT -> METABOLITE INACTIVE

Qualification:

URINE