N-DESMETHYL NERATINIB

Details

Stereochemistry	ACHIRAL
Molecular Formula	C29H27ClN6O3
Molecular Weight	543.016
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCOC1=C(NC(=O)\C=C\CNC)C=C2C(=C1)N=CC(C#N)=C2NC3=CC(Cl)=C(OCC4=NC=CC=C4)C=C3

InChI

InChIKey=PBRLDMHPDXNMBV-SOFGYWHQSA-N

InChI=1S/C29H27ClN6O3/c1-3-38-27-15-24-22(14-25(27)36-28(37)8-6-11-32-2)29(19(16-31)17-34-24)35-20-9-10-26(23(30)13-20)39-18-21-7-4-5-12-33-21/h4-10,12-15,17,32H,3,11,18H2,1-2H3,(H,34,35)(H,36,37)/b8-6+

HIDE SMILES / InChI

Molecular Formula	C29H27ClN6O3
Molecular Weight	543.016
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 `Thu Jul 06 19:31:34 UTC 2023` Edited by `admin` on `Thu Jul 06 19:31:34 UTC 2023`
Record UNII	757QYS9GL9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-DESMETHYL NERATINIB

Common Name

English

N-DESMETHYL HKI-272

Code

English

NERATINIB METABOLITE M6

Common Name

English

2-BUTENAMIDE, N-(4-((3-CHLORO-4-(2-PYRIDINYLMETHOXY)PHENYL)AMINO)-3-CYANO-7-ETHOXY-6-QUINOLINYL)-4-(METHYLAMINO)-, (2E)-

Systematic Name

English

(E)-N-(4-(3-CHLORO-4-(2-PYRIDINYLMETHYLOXY)ANILINO)-3-CYANO-7-ETHOXY-6-QUINOLINYL)-4-(METHYLAMINO)-2-BUTENAMIDE

Systematic Name

English

WAY-193575

Code

English

Code System Code Type Description

FDA UNII

757QYS9GL9

Created by admin on Thu Jul 06 19:31:34 UTC 2023 , Edited by admin on Thu Jul 06 19:31:34 UTC 2023

PRIMARY

PUBCHEM

11961295

Created by admin on Thu Jul 06 19:31:34 UTC 2023 , Edited by admin on Thu Jul 06 19:31:34 UTC 2023

PRIMARY

CAS

915788-27-1

Created by admin on Thu Jul 06 19:31:34 UTC 2023 , Edited by admin on Thu Jul 06 19:31:34 UTC 2023

PRIMARY

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