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Details

Stereochemistry ACHIRAL
Molecular Formula C18H15ClFN3O4
Molecular Weight 391.781
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(4-(3-CHLORO-4-FLUORO-ANILINO)-7-METHOXY-QUINAZOLIN-6-YL)OXYPROPANOIC ACID

SMILES

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

InChI

InChIKey=DMBNZAAZIMRDFR-UHFFFAOYSA-N
InChI=1S/C18H15ClFN3O4/c1-26-15-8-14-11(7-16(15)27-5-4-17(24)25)18(22-9-21-14)23-10-2-3-13(20)12(19)6-10/h2-3,6-9H,4-5H2,1H3,(H,24,25)(H,21,22,23)

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
3-(4-(3-CHLORO-4-FLUORO-ANILINO)-7-METHOXY-QUINAZOLIN-6-YL)OXYPROPANOIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
26K9JW7RGU
Created by admin on Sat Dec 16 14:09:03 GMT 2023 , Edited by admin on Sat Dec 16 14:09:03 GMT 2023
PRIMARY
PUBCHEM
156613852
Created by admin on Sat Dec 16 14:09:03 GMT 2023 , Edited by admin on Sat Dec 16 14:09:03 GMT 2023
PRIMARY
PARENT (METABOLITE)
Structure of GEFITINIB
NIH
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