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 UNSPECIFIED
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of NERATINIB

SMILES

CCOC1=CC2=C(C=C1NC(=O)\C=C\CN(C)C)C(NC3=CC(Cl)=C(OCC4=CC=CC=N4)C=C3)=C(C=N2)C#N

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
INN   MART.   MI   USAN   WHO-DD  
INN   USAN  
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 [WHO-DD]
Common Name English
NERATINIB [MART.]
Common Name English
NERATINIB [MI]
Common Name English
NERATINIB [USAN]
Common Name English
NERATINIB [INN]
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
Code System Code Type Description
WIKIPEDIA
NERATINIB
Created by admin on Tue Mar 06 11:10:26 UTC 2018 , Edited by admin on Tue Mar 06 11:10:26 UTC 2018
PRIMARY
ChEMBL
CHEMBL180022
Created by admin on Tue Mar 06 11:10:26 UTC 2018 , Edited by admin on Tue Mar 06 11:10:26 UTC 2018
PRIMARY
PUBCHEM
9915743
Created by admin on Tue Mar 06 11:10:26 UTC 2018 , Edited by admin on Tue Mar 06 11:10:26 UTC 2018
PRIMARY SWITZERF
EVMPD
SUB32232
Created by admin on Tue Mar 06 11:10:26 UTC 2018 , Edited by admin on Tue Mar 06 11:10:26 UTC 2018
PRIMARY
EPA CompTox
698387-09-6
Created by admin on Tue Mar 06 11:10:26 UTC 2018 , Edited by admin on Tue Mar 06 11:10:26 UTC 2018
PRIMARY
INN
8878
Created by admin on Tue Mar 06 11:10:26 UTC 2018 , Edited by admin on Tue Mar 06 11:10:26 UTC 2018
PRIMARY
RXCUI
1940643
Created by admin on Tue Mar 06 11:10:26 UTC 2018 , Edited by admin on Tue Mar 06 11:10:26 UTC 2018
PRIMARY
CAS
698387-09-6
Created by admin on Tue Mar 06 11:10:26 UTC 2018 , Edited by admin on Tue Mar 06 11:10:26 UTC 2018
PRIMARY
NCI_THESAURUS
C49094
Created by admin on Tue Mar 06 11:10:26 UTC 2018 , Edited by admin on Tue Mar 06 11:10:26 UTC 2018
PRIMARY
MERCK INDEX
M7827
Created by admin on Tue Mar 06 11:10:26 UTC 2018 , Edited by admin on Tue Mar 06 11:10:26 UTC 2018
PRIMARY Merck Index