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

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

Approval Year

Name Type Language
NERATINIB MALEATE ANHYDROUS
Common Name English
NERATINIB MALEATE
MI  
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
PRIMARY 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
PRIMARY
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
PRIMARY
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
PRIMARY
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
PRIMARY
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
PRIMARY
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
PRIMARY
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
PRIMARY
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
PRIMARY
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
PRIMARY
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
PRIMARY