NERATINIB MALEATE ANHYDROUS

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C30H29ClN6O3.C4H4O4
Molecular Weight	673.115
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of NERATINIB MALEATE ANHYDROUS

Structure Search

SMILES

OC(=O)\C=C/C(O)=O.CCOC1=C(NC(=O)\C=C\CN(C)C)C=C2C(=C1)N=CC(C#N)=C2NC3=CC=C(OCC4=NC=CC=C4)C(Cl)=C3

InChI

InChIKey=VXZCUHNJXSIJIM-MEBGWEOYSA-N

InChI=1S/C30H29ClN6O3.C4H4O4/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22;5-3(6)1-2-4(7)8/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38);1-2H,(H,5,6)(H,7,8)/b9-7+;2-1-

HIDE SMILES / InChI

Molecular Formula	C30H29ClN6O3
Molecular Weight	557.043
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Molecular Formula	C4H4O4
Molecular Weight	116.0722
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 Dec 16 10:44:34 UTC 2023` Edited by `admin` on `Sat Dec 16 10:44:34 UTC 2023`
Record UNII	9RM7XY23ZS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NERATINIB MALEATE ANHYDROUS

Common Name

English

NERATINIB MALEATE

Preferred Name

English

Neratinib maleate [WHO-DD]

Common Name

English

2-BUTENAMIDE, N-(4-((3-CHLORO-4-(2-PYRIDINYLMETHOXY)PHENYL)AMINO)-3-CYANO-7-ETHOXY-6-QUINOLINYL)-4-(DIMETHYLAMINO)-, (2E)-, (2Z)-2-BUTENEDIOATE (1:1)

Systematic Name

English

NERATINIB MALEATE [MI]

Common Name

English

NERLYNX

Brand Name

English

NERATINIB MALEATE [ORANGE BOOK]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C1967

Created by admin on Sat Dec 16 10:44:34 UTC 2023 , Edited by admin on Sat Dec 16 10:44:34 UTC 2023

NCI_THESAURUS

C129825

Created by admin on Sat Dec 16 10:44:34 UTC 2023 , Edited by admin on Sat Dec 16 10:44:34 UTC 2023

Code System Code Type Description

MERCK INDEX

m7827

Created by admin on Sat Dec 16 10:44:34 UTC 2023 , Edited by admin on Sat Dec 16 10:44:34 UTC 2023

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Merck Index

EVMPD

SUB194473

Created by admin on Sat Dec 16 10:44:34 UTC 2023 , Edited by admin on Sat Dec 16 10:44:34 UTC 2023

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DAILYMED

9RM7XY23ZS

Created by admin on Sat Dec 16 10:44:34 UTC 2023 , Edited by admin on Sat Dec 16 10:44:34 UTC 2023

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EPA CompTox

DTXSID801027861

Created by admin on Sat Dec 16 10:44:34 UTC 2023 , Edited by admin on Sat Dec 16 10:44:34 UTC 2023

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CAS

915942-22-2

Created by admin on Sat Dec 16 10:44:34 UTC 2023 , Edited by admin on Sat Dec 16 10:44:34 UTC 2023

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FDA UNII

9RM7XY23ZS

Created by admin on Sat Dec 16 10:44:34 UTC 2023 , Edited by admin on Sat Dec 16 10:44:34 UTC 2023

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DRUG BANK

DBSALT002087

Created by admin on Sat Dec 16 10:44:34 UTC 2023 , Edited by admin on Sat Dec 16 10:44:34 UTC 2023

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RXCUI

1940642

Created by admin on Sat Dec 16 10:44:34 UTC 2023 , Edited by admin on Sat Dec 16 10:44:34 UTC 2023

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PUBCHEM

67307512

Created by admin on Sat Dec 16 10:44:34 UTC 2023 , Edited by admin on Sat Dec 16 10:44:34 UTC 2023

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SMS_ID

100000180161

Created by admin on Sat Dec 16 10:44:34 UTC 2023 , Edited by admin on Sat Dec 16 10:44:34 UTC 2023

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NCI_THESAURUS

C136891

Created by admin on Sat Dec 16 10:44:34 UTC 2023 , Edited by admin on Sat Dec 16 10:44:34 UTC 2023

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Related Record Type Details


					KF5ZU8T8W2

NERATINIB MALEATE MONOHYDRATE

SOLVATE->ANHYDROUS


					JJH94R3PWB

NERATINIB

PARENT -> SALT/SOLVATE

Amount:

Related Record Type Details


					JJH94R3PWB

NERATINIB

ACTIVE MOIETY

Amount:

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
SOLUBILITY	CHEMICAL				FINAL pH CHEMICAL SOLVENT CHEMICAL TEMPERATURE PHYSICAL
SOLUBILITY	CHEMICAL				SOLVENT CHEMICAL FINAL pH CHEMICAL TEMPERATURE PHYSICAL
SOLUBILITY	CHEMICAL				TEMPERATURE PHYSICAL SOLVENT CHEMICAL