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Details

Stereochemistry ACHIRAL
Molecular Formula C24H25ClFN5O4
Molecular Weight 501.938
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 5-((4-((4-((3-CHLORO-4-FLUOROPHENYL)AMINO)-7-METHOXYQUINAZOLIN-6-YL)AMINO)-4-OXOBUT-2-EN-1-YL)AMINO)PENTANOIC ACID

SMILES

COC1=C(NC(=O)\C=C\CNCCCCC(O)=O)C=C2C(NC3=CC=C(F)C(Cl)=C3)=NC=NC2=C1

InChI

InChIKey=IWOSIKJINZPNOU-SNAWJCMRSA-N
InChI=1S/C24H25ClFN5O4/c1-35-21-13-19-16(24(29-14-28-19)30-15-7-8-18(26)17(25)11-15)12-20(21)31-22(32)5-4-10-27-9-3-2-6-23(33)34/h4-5,7-8,11-14,27H,2-3,6,9-10H2,1H3,(H,31,32)(H,33,34)(H,28,29,30)/b5-4+

HIDE SMILES / InChI

Approval Year

Name Type Language
5-((4-((4-((3-CHLORO-4-FLUOROPHENYL)AMINO)-7-METHOXYQUINAZOLIN-6-YL)AMINO)-4-OXOBUT-2-EN-1-YL)AMINO)PENTANOIC ACID
Systematic Name English
(E)-5-((4-((4-((3-CHLORO-4-FLUOROPHENYL)AMINO)-7-METHOXYQUINAZOLIN-6-YL)AMINO)-4-OXOBUT-2-EN-1-YL)AMINO)PENTANOIC ACID
Systematic Name English
DACOMITINIB METABOLITE M10
Common Name English
Code System Code Type Description
FDA UNII
86YI5K0E85
Created by admin on Sat Dec 16 10:04:10 GMT 2023 , Edited by admin on Sat Dec 16 10:04:10 GMT 2023
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PUBCHEM
118796520
Created by admin on Sat Dec 16 10:04:10 GMT 2023 , Edited by admin on Sat Dec 16 10:04:10 GMT 2023
PRIMARY