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N-Desmethyl Droloxifene-[d5]

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General Information
Catalog: BLP-004962
CAS: 1185241-63-7
Molecular Formula: C25H22D5NO2
Molecular Weight: 378.52

Chemical Structure

Description	N-Desmethyl Droloxifene-[d5] is the labelled analogue of N-Desmethyl Droloxifene, which is a metabolite of Droloxifene.
Synonyms	N-Desmethyl Droloxifene D5; 3-[(1E)-1-[4-[2-(Methylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl-d5]-phenol; N-Desmethyldroloxifene-d5; N-Desmethyl-3-hydroxytamoxifen-d5
IUPAC Name	3-[(E)-3,3,4,4,4-pentadeuterio-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
Related CAS	83647-33-0 (unlabelled)
Canonical SMILES	CCC(=C(C1=CC=C(C=C1)OCCNC)C2=CC(=CC=C2)O)C3=CC=CC=C3
InChI	InChI=1S/C25H27NO2/c1-3-24(19-8-5-4-6-9-19)25(21-10-7-11-22(27)18-21)20-12-14-23(15-13-20)28-17-16-26-2/h4-15,18,26-27H,3,16-17H2,1-2H3/b25-24+/i1D3,3D2
InChI Key	QPHNKIXIKDPNDI-JFIRTRMYSA-N
Melting Point	66-72°C
Solubility	Soluble in Chloroform, Methanol
Appearance	Pale Yellow Solid
Storage	Store at -20°C under inert atmosphere