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Details

Stereochemistry ACHIRAL
Molecular Formula C26H17ClFN3O4
Molecular Weight 489.882
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-FURANCARBOXYLIC ACID, 5-(4-((3-CHLORO-4-((3-FLUOROPHENYL)METHOXY)PHENYL)AMINO)-6-QUINAZOLINYL)-

SMILES

OC(=O)C1=CC=C(O1)C2=CC=C3N=CN=C(NC4=CC=C(OCC5=CC=CC(F)=C5)C(Cl)=C4)C3=C2

InChI

InChIKey=ALLDUFLYKPDTCS-UHFFFAOYSA-N
InChI=1S/C26H17ClFN3O4/c27-20-12-18(5-7-23(20)34-13-15-2-1-3-17(28)10-15)31-25-19-11-16(4-6-21(19)29-14-30-25)22-8-9-24(35-22)26(32)33/h1-12,14H,13H2,(H,32,33)(H,29,30,31)

HIDE SMILES / InChI

Molecular Formula C26H17ClFN3O4
Molecular Weight 489.882
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 Thu Jul 06 20:17:25 UTC 2023
Edited
by admin
on Thu Jul 06 20:17:25 UTC 2023
Record UNII
2T859UZJ2V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-FURANCARBOXYLIC ACID, 5-(4-((3-CHLORO-4-((3-FLUOROPHENYL)METHOXY)PHENYL)AMINO)-6-QUINAZOLINYL)-
Systematic Name English
LAPATINIB METABOLITE M12
Common Name English
5-(4-((3-CHLORO-4-((3-FLUOROBENZYL)OXY)PHENYL)AMINO)QUINAZOLIN-6-YL)FURAN-2-CARBOXYLIC ACID
Systematic Name English
5-(4-((3-CHLORO-4-((3-FLUOROPHENYL)METHOXY)PHENYL)AMINO)-6-QUINAZOLINYL)-2-FURANCARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
2T859UZJ2V
Created by admin on Thu Jul 06 20:17:26 UTC 2023 , Edited by admin on Thu Jul 06 20:17:26 UTC 2023
PRIMARY
CAS
1152131-73-1
Created by admin on Thu Jul 06 20:17:26 UTC 2023 , Edited by admin on Thu Jul 06 20:17:26 UTC 2023
PRIMARY
PUBCHEM
49856711
Created by admin on Thu Jul 06 20:17:26 UTC 2023 , Edited by admin on Thu Jul 06 20:17:26 UTC 2023
PRIMARY
Related Record Type Details
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