910297-57-3 Purity
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Specification
The molecular formula of Hydroxy Vandetanib is C22H24BrFN4O3.
The synonyms for Hydroxy Vandetanib are "910298-61-2" and "[4-[[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxymethyl]piperidin-1-yl]methanol".
The molecular weight of Hydroxy Vandetanib is 491.4 g/mol.
The IUPAC name of Hydroxy Vandetanib is [4-[[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxymethyl]piperidin-1-yl]methanol.
The InChI of Hydroxy Vandetanib is 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).
The InChIKey of Hydroxy Vandetanib is DOKXHMPUAQBETB-UHFFFAOYSA-N.
The canonical SMILES of Hydroxy Vandetanib is COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=C(C=C3)Br)F)OCC4CCN(CC4)CO.
The CAS number of Hydroxy Vandetanib is 910298-61-2.
The XLogP3-AA value of Hydroxy Vandetanib is 4.3.
Yes, Hydroxy Vandetanib is canonicalized.