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Details

Stereochemistry ACHIRAL
Molecular Formula C26H17ClFN3O3
Molecular Weight 473.883
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (5-(4-(4-((3-FLUOROBENZYL)OXY)-3-CHLOROANILINO)-6-QUINAZOLINYL)-2-FURANCARBOXALDEHYDE

SMILES

FC1=CC(COC2=CC=C(NC3=NC=NC4=CC=C(C=C34)C5=CC=C(O5)C=O)C=C2Cl)=CC=C1

InChI

InChIKey=XQPZOUAAXRXPAM-UHFFFAOYSA-N
InChI=1S/C26H17ClFN3O3/c27-22-12-19(5-8-25(22)33-14-16-2-1-3-18(28)10-16)31-26-21-11-17(4-7-23(21)29-15-30-26)24-9-6-20(13-32)34-24/h1-13,15H,14H2,(H,29,30,31)

HIDE SMILES / InChI

Molecular Formula C26H17ClFN3O3
Molecular Weight 473.883
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 Sat Dec 16 14:54:53 GMT 2023
Edited
by admin
on Sat Dec 16 14:54:53 GMT 2023
Record UNII
XA9X87F37H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(5-(4-(4-((3-FLUOROBENZYL)OXY)-3-CHLOROANILINO)-6-QUINAZOLINYL)-2-FURANCARBOXALDEHYDE
Systematic Name English
LAPATINIB METABOLITE M11
Common Name English
2-FURANCARBOXALDEHYDE, 5-(4-((3-CHLORO-4-((3-FLUOROPHENYL)METHOXY)PHENYL)AMINO)-6-QUINAZOLINYL)-
Systematic Name English
5-(4-((3-CHLORO-4-((3-FLUOROPHENYL)METHOXY)PHENYL)AMINO)-6-QUINAZOLINYL)-2-FURANCARBOXALDEHYDE
Systematic Name English
5-(4-((3-CHLORO-4-((3-FLUOROBENZYL)OXY)PHENYL)AMINO)QUINAZOLIN-6-YL)FURAN-2-CARBOXALDEHYDE
Systematic Name English
5-(4-(3-CHLORO-4-(3-FLUOROBENZYLOXY)-ANILINO)-6-QUINAZOLINYL)FURAN-2-CARBOXALDEHYDE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID00457833
Created by admin on Sat Dec 16 14:54:53 GMT 2023 , Edited by admin on Sat Dec 16 14:54:53 GMT 2023
PRIMARY
PUBCHEM
11181296
Created by admin on Sat Dec 16 14:54:53 GMT 2023 , Edited by admin on Sat Dec 16 14:54:53 GMT 2023
PRIMARY
FDA UNII
XA9X87F37H
Created by admin on Sat Dec 16 14:54:53 GMT 2023 , Edited by admin on Sat Dec 16 14:54:53 GMT 2023
PRIMARY
CAS
231278-84-5
Created by admin on Sat Dec 16 14:54:53 GMT 2023 , Edited by admin on Sat Dec 16 14:54:53 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE