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Details

Stereochemistry ACHIRAL
Molecular Formula C30H31ClN6O4
Molecular Weight 575.058
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 4-[[3-Chloro-4-(2-pyridinylmethoxy)phenyl]amino]-6-[[(2E)-4-(dimethylamino)-1-oxo-2-buten-1-yl]amino]-7-ethoxy-3-quinolinecarboxamide

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)=O

InChI

InChIKey=DOKHWOSCUNXBRY-VQHVLOKHSA-N
InChI=1S/C30H31ClN6O4/c1-4-40-27-16-24-21(15-25(27)36-28(38)9-7-13-37(2)3)29(22(17-34-24)30(32)39)35-19-10-11-26(23(31)14-19)41-18-20-8-5-6-12-33-20/h5-12,14-17H,4,13,18H2,1-3H3,(H2,32,39)(H,34,35)(H,36,38)/b9-7+

HIDE SMILES / InChI

Approval Year

Name Type Language
4-[[3-Chloro-4-(2-pyridinylmethoxy)phenyl]amino]-6-[[(2E)-4-(dimethylamino)-1-oxo-2-buten-1-yl]amino]-7-ethoxy-3-quinolinecarboxamide
Systematic Name English
3-Quinolinecarboxamide, 4-[[3-chloro-4-(2-pyridinylmethoxy)phenyl]amino]-6-[[(2E)-4-(dimethylamino)-1-oxo-2-buten-1-yl]amino]-7-ethoxy-
Systematic Name English
Neratinib Impurity XA
Common Name English
Code System Code Type Description
CAS
1376619-98-5
Created by admin on Sat Dec 16 20:20:04 GMT 2023 , Edited by admin on Sat Dec 16 20:20:04 GMT 2023
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FDA UNII
SN4J7V844K
Created by admin on Sat Dec 16 20:20:04 GMT 2023 , Edited by admin on Sat Dec 16 20:20:04 GMT 2023
PRIMARY
PUBCHEM
168444408
Created by admin on Sat Dec 16 20:20:04 GMT 2023 , Edited by admin on Sat Dec 16 20:20:04 GMT 2023
PRIMARY