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Diethylstilbestrol-[d8] (mixture of E-and Z-forms)

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General Information
Catalog: BLP-000221
Molecular Formula: C18H16D4O2
Molecular Weight: 276.40

Chemical Structure

Description	Diethylstilbestrol-[d8] (mixture of E-and Z-forms), is the labelled analogue of Diethylstilbestrol. Diethylstilbestrol, also known as stilbestrol or stilboestrol, is a nonsteroidal estrogen medication.
Synonyms	Diethyl-1,1,1',1'-d4-stilbestrol-3,3',5,5'-d4 (mixture of E-and Z-forms)
IUPAC Name	3,5-dideuterio-4-[(E)-2,2,5,5-tetradeuterio-4-(2,6-dideuterio-4-hydroxyphenyl)hex-3-en-3-yl]phenol
Related CAS	56-53-1 (unlabelled)
Canonical SMILES	CCC(=C(CC)C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
InChI	InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+/i3D2,4D2,5D,6D,7D,8D
InChI Key	RGLYKWWBQGJZGM-AYAXEXGHSA-N
Melting Point	169-172 °C (lit.)
Purity	98% atom D
Solubility	Soluble in DMSO, Methanol
Appearance	Solid
Storage	Store at -20°C