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Details

Stereochemistry ACHIRAL
Molecular Formula C29H24ClFN4O5S
Molecular Weight 595.041
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 4-QUINAZOLINAMINE, N-(3-CHLORO-4-((3-FLUOROPHENYL)METHOXY)PHENYL)-6-(5-(((2-(METHYLSULFONYL)ETHYLIDENE)OXIDOAMINO)METHYL)-2-FURANYL)-

SMILES

CS(=O)(=O)C\C=[N+](/[O-])CC1=CC=C(O1)C2=CC=C3N=CN=C(NC4=CC=C(OCC5=CC=CC(F)=C5)C(Cl)=C4)C3=C2

InChI

InChIKey=BTXMTMXPGKEXCD-MIXUXINWSA-N
InChI=1S/C29H24ClFN4O5S/c1-41(37,38)12-11-35(36)16-23-7-10-27(40-23)20-5-8-26-24(14-20)29(33-18-32-26)34-22-6-9-28(25(30)15-22)39-17-19-3-2-4-21(31)13-19/h2-11,13-15,18H,12,16-17H2,1H3,(H,32,33,34)/b35-11-

HIDE SMILES / InChI

Molecular Formula C29H24ClFN4O5S
Molecular Weight 595.041
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:46:52 GMT 2023
Edited
by admin
on Sat Dec 16 14:46:52 GMT 2023
Record UNII
UA76LS94X4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-QUINAZOLINAMINE, N-(3-CHLORO-4-((3-FLUOROPHENYL)METHOXY)PHENYL)-6-(5-(((2-(METHYLSULFONYL)ETHYLIDENE)OXIDOAMINO)METHYL)-2-FURANYL)-
Systematic Name English
LAPATINIB METABOLITE M7
Common Name English
N-(3-CHLORO-4-((3-FLUOROPHENYL)METHOXY)PHENYL)-6-(5-(((2-(METHYLSULFONYL)ETHYLIDENE)OXIDOAMINO)METHYL)-2-FURANYL)-4-QUINAZOLINAMINE
Systematic Name English
Code System Code Type Description
CAS
1415561-19-1
Created by admin on Sat Dec 16 14:46:52 GMT 2023 , Edited by admin on Sat Dec 16 14:46:52 GMT 2023
PRIMARY
PUBCHEM
156596463
Created by admin on Sat Dec 16 14:46:52 GMT 2023 , Edited by admin on Sat Dec 16 14:46:52 GMT 2023
PRIMARY
FDA UNII
UA76LS94X4
Created by admin on Sat Dec 16 14:46:52 GMT 2023 , Edited by admin on Sat Dec 16 14:46:52 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE