NERATINIB

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C30H29ClN6O3
Molecular Weight	557.043
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of NERATINIB

Structure Search

SMILES

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=JWNPDZNEKVCWMY-VQHVLOKHSA-N

InChI=1S/C30H29ClN6O3/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/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+

HIDE SMILES / InChI

Approval Year

Name

Type

Language

NERATINIB

Official Name

English

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

Systematic Name

English

HKI-272

Code

English

CDP-820

Code

English

NERATINIB [MART.]

Common Name

English

NERATINIB [MI]

Common Name

English

NERATINIB [USAN]

Common Name

English

neratinib [INN]

Common Name

English

Neratinib [WHO-DD]

Common Name

English

(2E)-N-[4-[[3-Chloro-4-[(pyridin-2-yl)methoxy]phenyl]amino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C1967

Created by admin on Fri Dec 15 16:25:26 UTC 2023 , Edited by admin on Fri Dec 15 16:25:26 UTC 2023

FDA ORPHAN DRUG

699119

Created by admin on Fri Dec 15 16:25:26 UTC 2023 , Edited by admin on Fri Dec 15 16:25:26 UTC 2023

NCI_THESAURUS

C129825

Created by admin on Fri Dec 15 16:25:26 UTC 2023 , Edited by admin on Fri Dec 15 16:25:26 UTC 2023

WHO-ATC

L01XE45

Created by admin on Fri Dec 15 16:25:26 UTC 2023 , Edited by admin on Fri Dec 15 16:25:26 UTC 2023

NDF-RT

N0000175605

Created by admin on Fri Dec 15 16:25:26 UTC 2023 , Edited by admin on Fri Dec 15 16:25:26 UTC 2023

Code System Code Type Description

WIKIPEDIA

NERATINIB

Created by admin on Fri Dec 15 16:25:26 UTC 2023 , Edited by admin on Fri Dec 15 16:25:26 UTC 2023

PRIMARY

ChEMBL

CHEMBL180022

Created by admin on Fri Dec 15 16:25:26 UTC 2023 , Edited by admin on Fri Dec 15 16:25:26 UTC 2023

PRIMARY

PUBCHEM

9915743

Created by admin on Fri Dec 15 16:25:26 UTC 2023 , Edited by admin on Fri Dec 15 16:25:26 UTC 2023

PRIMARY

DRUG CENTRAL

5252

Created by admin on Fri Dec 15 16:25:26 UTC 2023 , Edited by admin on Fri Dec 15 16:25:26 UTC 2023

PRIMARY

CHEBI

61397

Created by admin on Fri Dec 15 16:25:26 UTC 2023 , Edited by admin on Fri Dec 15 16:25:26 UTC 2023

PRIMARY

EVMPD

SUB32232

Created by admin on Fri Dec 15 16:25:26 UTC 2023 , Edited by admin on Fri Dec 15 16:25:26 UTC 2023

PRIMARY

EPA CompTox

DTXSID70220132

Created by admin on Fri Dec 15 16:25:26 UTC 2023 , Edited by admin on Fri Dec 15 16:25:26 UTC 2023

PRIMARY

DRUG BANK

DB11828

Created by admin on Fri Dec 15 16:25:26 UTC 2023 , Edited by admin on Fri Dec 15 16:25:26 UTC 2023

PRIMARY

INN

8878

Created by admin on Fri Dec 15 16:25:26 UTC 2023 , Edited by admin on Fri Dec 15 16:25:26 UTC 2023

PRIMARY

FDA UNII

JJH94R3PWB

Created by admin on Fri Dec 15 16:25:26 UTC 2023 , Edited by admin on Fri Dec 15 16:25:26 UTC 2023

PRIMARY

RXCUI

1940643

Created by admin on Fri Dec 15 16:25:26 UTC 2023 , Edited by admin on Fri Dec 15 16:25:26 UTC 2023

PRIMARY

CAS

698387-09-6

Created by admin on Fri Dec 15 16:25:26 UTC 2023 , Edited by admin on Fri Dec 15 16:25:26 UTC 2023

PRIMARY

NCI_THESAURUS

C49094

Created by admin on Fri Dec 15 16:25:26 UTC 2023 , Edited by admin on Fri Dec 15 16:25:26 UTC 2023

PRIMARY

MERCK INDEX

m7827

Created by admin on Fri Dec 15 16:25:26 UTC 2023 , Edited by admin on Fri Dec 15 16:25:26 UTC 2023

PRIMARY

Merck Index

DAILYMED

JJH94R3PWB

Created by admin on Fri Dec 15 16:25:26 UTC 2023 , Edited by admin on Fri Dec 15 16:25:26 UTC 2023

PRIMARY

USAN

SS-120

Created by admin on Fri Dec 15 16:25:26 UTC 2023 , Edited by admin on Fri Dec 15 16:25:26 UTC 2023

PRIMARY

CAS

876310-02-0

Created by admin on Fri Dec 15 16:25:26 UTC 2023 , Edited by admin on Fri Dec 15 16:25:26 UTC 2023

NON-SPECIFIC STEREOCHEMISTRY

SMS_ID

100000124443

Created by admin on Fri Dec 15 16:25:26 UTC 2023 , Edited by admin on Fri Dec 15 16:25:26 UTC 2023

PRIMARY

LACTMED

Neratanib

Created by admin on Fri Dec 15 16:25:26 UTC 2023 , Edited by admin on Fri Dec 15 16:25:26 UTC 2023

PRIMARY

ACTIVE MOIETY


					JJH94R3PWB

NERATINIB

METABOLITE ACTIVE (PARENT)


					PO13R2U9YB

NERATINIB PYRIDINE N-OXIDE

METABOLITE ACTIVE (PARENT)


					757QYS9GL9

N-DESMETHYL NERATINIB

METABOLITE LESS ACTIVE (PARENT)


					QUH15J9Q1Q

NERATINIB DIMETHYLAMINE N-OXIDE

SALT/SOLVATE (PARENT)


					9RM7XY23ZS

NERATINIB MALEATE ANHYDROUS

SALT/SOLVATE (PARENT)


					KF5ZU8T8W2

NERATINIB MALEATE MONOHYDRATE