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Details

Stereochemistry ACHIRAL
Molecular Formula C31H29ClFN5O3.2C4H4O4
Molecular Weight 806.189
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 3
Charge 0

SHOW SMILES / InChI
Structure of HKI-357 DIMALEATE

SMILES

OC(=O)\C=C/C(O)=O.OC(=O)\C=C/C(O)=O.CCOC1=CC2=C(C=C1NC(=O)\C=C\CN(C)C)C(NC3=CC(Cl)=C(OCC4=CC(F)=CC=C4)C=C3)=C(C=N2)C#N

InChI

InChIKey=XQJVNEZMRMUPTL-ZMKZOGGKSA-N
InChI=1S/C31H29ClFN5O3.2C4H4O4/c1-4-40-29-16-26-24(15-27(29)37-30(39)9-6-12-38(2)3)31(21(17-34)18-35-26)36-23-10-11-28(25(32)14-23)41-19-20-7-5-8-22(33)13-20;2*5-3(6)1-2-4(7)8/h5-11,13-16,18H,4,12,19H2,1-3H3,(H,35,36)(H,37,39);2*1-2H,(H,5,6)(H,7,8)/b9-6+;2*2-1-

HIDE SMILES / InChI

Approval Year

Name Type Language
HKI-357 DIMALEATE
Common Name English
(E)-N-(4-(3-CHLORO-4-((3-FLUOROBENZYL)OXY)ANILINO)-3-CYANO-7-ETHOXY-6-QUINOLINYL)-4-(DIMETHYLAMINO)-2-BUTENAMIDE DIMALEATE
Common Name English
Code System Code Type Description
CAS
915942-25-5
Created by admin on Sat Dec 16 04:41:41 UTC 2023 , Edited by admin on Sat Dec 16 04:41:41 UTC 2023
PRIMARY
FDA UNII
7X764DR931
Created by admin on Sat Dec 16 04:41:41 UTC 2023 , Edited by admin on Sat Dec 16 04:41:41 UTC 2023
PRIMARY
PUBCHEM
72941950
Created by admin on Sat Dec 16 04:41:41 UTC 2023 , Edited by admin on Sat Dec 16 04:41:41 UTC 2023
PRIMARY