O-Desmethyl gefitinib-[d8]

General Information
Catalog: BLP-013954
Molecular Formula: C21H14D8ClFN4O3
Molecular Weight: 440.87
Chemical Structure
O-Desmethyl gefitinib-[d8]
Description An isotope labelled metabolite of Gefitinib. Gefitinib is a drug used for the treatment of cancers.
Synonyms 4-[(3-Chloro-4-fluorophenyl)amino]-6-[3-(4-morpholinyl)propoxy]-7-quinazolinol-d8; M523595-d8
IUPAC Name 4-(3-chloro-4-fluoroanilino)-6-[3-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)propoxy]quinazolin-7-ol
Related CAS 847949-49-9 (unlabelled)
Canonical SMILES C1COCCN1CCCOC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl)O
InChI InChI=1S/C21H22ClFN4O3/c22-16-10-14(2-3-17(16)23)26-21-15-11-20(19(28)12-18(15)24-13-25-21)30-7-1-4-27-5-8-29-9-6-27/h2-3,10-13,28H,1,4-9H2,(H,24,25,26)/i5D2,6D2,8D2,9D2
InChI Key IFMMYZUUCFPEHR-RHDPTBQRSA-N
Purity 95% by HPLC; 98% atom D

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