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Details

Stereochemistry ACHIRAL
Molecular Formula C29H25ClFN4O4S
Molecular Weight 580.0517
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of 6-(4-(3-CHLORO-4-((3-FLUOROPHENYL)METHOXY)ANILINO)QUINAZOLIN-6-YL)-1-(2-METHYLSULFONYLETHYL)PYRIDIN-1-IUM-3-OL

SMILES

CS(=O)(=O)CCN1C=C(C=CC1=c2ccc3=[NH+]C=NC(=Nc4ccc(c(c4)Cl)OCc5cccc(c5)F)c3c2)O

InChI

InChIKey=YTXMIVIMYLIVIX-UHFFFAOYSA-O
InChI=1S/C29H24ClFN4O4S/c1-40(37,38)12-11-35-16-23(36)7-9-27(35)20-5-8-26-24(14-20)29(33-18-32-26)34-22-6-10-28(25(30)15-22)39-17-19-3-2-4-21(31)13-19/h2-10,13-16,18,36H,11-12,17H2,1H3/p+1

HIDE SMILES / InChI

Molecular Formula C29H24ClFN4O4S
Molecular Weight 579.0438
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jun 25 20:32:20 UTC 2021
Edited
by admin
on Fri Jun 25 20:32:20 UTC 2021
Record UNII
7E8WRS38J2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-(4-(3-CHLORO-4-((3-FLUOROPHENYL)METHOXY)ANILINO)QUINAZOLIN-6-YL)-1-(2-METHYLSULFONYLETHYL)PYRIDIN-1-IUM-3-OL
Systematic Name English
PYRIDINIUM, 6-(4-((3-CHLORO-4-((3-FLUOROPHENYL)METHOXY)PHENYL)AMINO)-6-QUINAZOLINYL)-3-HYDROXY-1-(2-(METHYLSULFONYL)ETHYL)-, INNER SALT
Systematic Name English
LAPATINIB METABOLITE M5
Common Name English
Code System Code Type Description
CAS
1807733-95-4
Created by admin on Fri Jun 25 20:32:20 UTC 2021 , Edited by admin on Fri Jun 25 20:32:20 UTC 2021
PRIMARY
FDA UNII
7E8WRS38J2
Created by admin on Fri Jun 25 20:32:20 UTC 2021 , Edited by admin on Fri Jun 25 20:32:20 UTC 2021
PRIMARY
Related Record Type Details
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