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Hexestrol-[d4]

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General Information
Catalog: BLP-005953
CAS: 1189950-25-1
Molecular Formula: C18H18D4O2
Molecular Weight: 274.39

Chemical Structure

Description	Hexestrol-[d4] is an isotopically labelled analogue of Hexestrol, an estrogen and antineoplastic (hormonal).
Synonyms	4,4'-[1,2-(Diethyl-d4)-1,2-ethanediyl]bisphenol; meso-3,4-Di(p-hydroxyphenyl)-n-hexane-d4; Cycloestrol-d4; Erythrohexestrol-d4; Estrifar-d4; Estronal-d4; meso-Hexestrol-d4
IUPAC Name	4-[2,2,5,5-tetradeuterio-4-(4-hydroxyphenyl)hexan-3-yl]phenol
Related CAS	84-16-2 (unlabelled)
Canonical SMILES	CCC(C1=CC=C(C=C1)O)C(CC)C2=CC=C(C=C2)O
InChI	InChI=1S/C18H22O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-20H,3-4H2,1-2H3/i3D2,4D2
InChI Key	PBBGSZCBWVPOOL-KHORGVISSA-N
Melting Point	181-183°C
Purity	98%; ≥95% atom D
Solubility	Slightly soluble in Acetone, Methanol
Appearance	White Solid
Storage	Store at 2-8°C