NERATINIB DIMETHYLAMINE N-OXIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C30H29ClN6O4
Molecular Weight	573.0431
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of NERATINIB DIMETHYLAMINE N-OXIDE

Structure Search

SMILES

CCOc1cc2c(cc1N=C(/C(/[H])=C(\[H])/CN(=O)(C)C)O)c(=Nc3ccc(c(c3)Cl)OCc4ccccn4)c(C#N)c[nH]2

InChI

InChIKey=DREVEVQWSRJACN-VQHVLOKHSA-N

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

HIDE SMILES / InChI

Molecular Formula	C30H29ClN6O4
Molecular Weight	573.0431
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 Jun 26 14:01:59 UTC 2021` Edited by `admin` on `Sat Jun 26 14:01:59 UTC 2021`
Record UNII	QUH15J9Q1Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NERATINIB DIMETHYLAMINE N-OXIDE

Common Name

English

HKI-272 DIMETHYLAMINE N-OXIDE

Code

English

NERATINIB METABOLITE M7

Common Name

English

WYE-121592

Code

English

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

Systematic Name

English

Code System Code Type Description

FDA UNII

QUH15J9Q1Q

Created by admin on Sat Jun 26 14:01:59 UTC 2021 , Edited by admin on Sat Jun 26 14:01:59 UTC 2021

PRIMARY

PUBCHEM

87687267

Created by admin on Sat Jun 26 14:01:59 UTC 2021 , Edited by admin on Sat Jun 26 14:01:59 UTC 2021

PRIMARY

CAS

1376615-55-2

Created by admin on Sat Jun 26 14:01:59 UTC 2021 , Edited by admin on Sat Jun 26 14:01:59 UTC 2021

PRIMARY

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Comments:

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Interaction Type:

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Qualification:

IC50

Amount:


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Comments:

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Interaction Type:

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Qualification:

IC50

Amount:

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