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Bazedoxifene-[d4] N-Oxide

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General Information
Catalog: BLP-013531
CAS: 1794810-68-6
Molecular Formula: C30H30D4N2O4
Molecular Weight: 490.63

Chemical Structure

Description	Bazedoxifene-[d4] N-Oxide is a labelled metabolite of the selective estrogen receptor modulator, Bazedoxifene.
Synonyms	1-[[4-[2-(Hexahydro-1-oxido-1H-azepin-1-yl)(ethoxy-d4)]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methyl-1H-indol-5-ol
IUPAC Name	2-(4-hydroxyphenyl)-3-methyl-1-[[4-[1,1,2,2-tetradeuterio-2-(1-oxidoazepan-1-ium-1-yl)ethoxy]phenyl]methyl]indol-5-ol
Related CAS	1174289-22-5 (unlabelled)
Canonical SMILES	CC1=C(N(C2=C1C=C(C=C2)O)CC3=CC=C(C=C3)OCC[N+]4(CCCCCC4)[O-])C5=CC=C(C=C5)O
InChI	InChI=1S/C30H34N2O4/c1-22-28-20-26(34)12-15-29(28)31(30(22)24-8-10-25(33)11-9-24)21-23-6-13-27(14-7-23)36-19-18-32(35)16-4-2-3-5-17-32/h6-15,20,33-34H,2-5,16-19,21H2,1H3/i18D2,19D2
InChI Key	CFBANWAZVCOMGU-AUZVCRNNSA-N