NERATINIB PYRIDINE N-OXIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C30H29ClN6O4
Molecular Weight	573.042
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\CN(C)C)C=C2C(=C1)N=CC(C#N)=C2NC3=CC(Cl)=C(OCC4=[N+]([O-])C=CC=C4)C=C3

InChI

InChIKey=CDFDEPYFRKSPTL-VQHVLOKHSA-N

InChI=1S/C30H29ClN6O4/c1-4-40-28-16-25-23(15-26(28)35-29(38)9-7-12-36(2)3)30(20(17-32)18-33-25)34-21-10-11-27(24(31)14-21)41-19-22-8-5-6-13-37(22)39/h5-11,13-16,18H,4,12,19H2,1-3H3,(H,33,34)(H,35,38)/b9-7+

HIDE SMILES / InChI

Molecular Formula	C30H29ClN6O4
Molecular Weight	573.042
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 `Tue Apr 01 21:21:27 GMT 2025` Edited by `admin` on `Tue Apr 01 21:21:27 GMT 2025`
Record UNII	PO13R2U9YB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

HKI-272 PYRIDINE N-OXIDE

Preferred Name

English

NERATINIB PYRIDINE N-OXIDE

Common Name

English

WYE-121529

Code

English

NERATINIB METABOLITE M3

Common Name

English

2-BUTENAMIDE, N-(4-((3-CHLORO-4-((1-OXIDO-2-PYRIDINYL)METHOXY)PHENYL)AMINO)-3-CYANO-7-ETHOXY-6-QUINOLINYL)-4-(DIMETHYLAMINO)-, (2E)-

Systematic Name

English

Code System Code Type Description

FDA UNII

PO13R2U9YB

Created by admin on Tue Apr 01 21:21:27 GMT 2025 , Edited by admin on Tue Apr 01 21:21:27 GMT 2025

PRIMARY

CAS

1376619-94-1

Created by admin on Tue Apr 01 21:21:27 GMT 2025 , Edited by admin on Tue Apr 01 21:21:27 GMT 2025

PRIMARY

PUBCHEM

131634109

Created by admin on Tue Apr 01 21:21:27 GMT 2025 , Edited by admin on Tue Apr 01 21:21:27 GMT 2025

PRIMARY

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