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O-Desmethyl Dacomitinib-[d5]

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General Information
Catalog: BLP-003606
Molecular Formula: C23H18D5ClFN5O2
Molecular Weight: 460.94

Chemical Structure

Description	O-Desmethyl Dacomitinib-[d5], is the labelled analogue of O-Desmethyl Dacomitinib, which is a metabolite of Dacomitinib. Dacomitinib is a medication for the treatment of non-small-cell lung carcinoma.
Synonyms	O-Desmethyl Dacomitinib D5
IUPAC Name	(E)-N-[4-(3-chloro-4-fluoroanilino)-7-hydroxyquinazolin-6-yl]-4-(2,3,4,5,6-pentadeuteriopiperidin-1-yl)but-2-enamide
Related CAS	2468202-15-3 (unlabelled)
Canonical SMILES	C1CCN(CC1)CC=CC(=O)NC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl)O
InChI	InChI=1S/C23H23ClFN5O2/c24-17-11-15(6-7-18(17)25)28-23-16-12-20(21(31)13-19(16)26-14-27-23)29-22(32)5-4-10-30-8-2-1-3-9-30/h4-7,11-14,31H,1-3,8-10H2,(H,29,32)(H,26,27,28)/b5-4+/i1D,2D,3D,8D,9D
InChI Key	VFBCTMFFOJGSLU-RAIOFGFRSA-N