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Hydroxy Vandetanib-[d4]

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General Information
Catalog: BLP-013780
CAS: 1346598-62-6
Molecular Formula: C22H20D4BrFN4O3
Molecular Weight: 495.38

Chemical Structure

Description	Hydroxy Vandetanib-[d4] is the labelled analogue of Hydroxy Vandetanib, which is a metabolite of Vandetanib.
Synonyms	Hydroxy Vandetanib-d4; 4-[[[4-[(4-Bromo-2-fluorophenyl)amino]-6-methoxy-7-quinazolinyl]oxy]methyl]-1-(piperidine-d4)methanol
IUPAC Name	[4-[[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxymethyl]-2,2,6,6-tetradeuteriopiperidin-1-yl]methanol
Related CAS	910298-61-2 (unlabelled)
Canonical SMILES	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=C(C=C3)Br)F)OCC4CCN(CC4)CO
InChI	InChI=1S/C22H24BrFN4O3/c1-30-20-9-16-19(10-21(20)31-11-14-4-6-28(13-29)7-5-14)25-12-26-22(16)27-18-3-2-15(23)8-17(18)24/h2-3,8-10,12,14,29H,4-7,11,13H2,1H3,(H,25,26,27)/i6D2,7D2
InChI Key	DOKXHMPUAQBETB-KXGHAPEVSA-N