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O-Demethyl Vandetanib-[d4]

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General Information
Catalog: BLP-003629
CAS: 1346599-97-0
Molecular Formula: C21H18D4BrFN4O2
Molecular Weight: 465.35

Chemical Structure

Description	O-Demethyl Vandetanib-[d4], is the labelled analogue of O-Demethyl Vandetanib, which is a metabolite of Vandetanib. Vandetanib is an anti-cancer medication that is used for the treatment of certain tumours of the thyroid gland.
Synonyms	4-[(4-Bromo-2-fluorophenyl)amino]-7-[[1-methyl-4-(piperidinyl-d4)]methoxy]-6-quinazolinol; O-Demethyl Vandetanib D4
IUPAC Name	4-(4-bromo-2-fluoroanilino)-7-[(2,2,6,6-tetradeuterio-1-methylpiperidin-4-yl)methoxy]quinazolin-6-ol
Related CAS	910298-60-1 (unlabelled)
Canonical SMILES	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)O
InChI	InChI=1S/C21H22BrFN4O2/c1-27-6-4-13(5-7-27)11-29-20-10-18-15(9-19(20)28)21(25-12-24-18)26-17-3-2-14(22)8-16(17)23/h2-3,8-10,12-13,28H,4-7,11H2,1H3,(H,24,25,26)/i6D2,7D2
InChI Key	XFRILWHQVZXWIN-KXGHAPEVSA-N
Boiling Point	554.0±50.0°C at 760 mmHg
Density	1.5±0.1 g/cm3
Storage	Store at-20°C