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Fulvestrant-[d3]

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General Information
Catalog: BLP-013875
Molecular Formula: C32H44D3F5O3S
Molecular Weight: 609.79

Chemical Structure

Description	Fulvestrant-[d3] is a novel labelled steroidal estrogen antagonist fulvestrant. Fulvestrant is used for the treatment of hormone receptor (HR)-positive metastatic breast cancer in post-menopausal women with disease progression following anti-estrogen therapy.
Synonyms	(7-alpha,17-beta)-7-[9-[4,4,5,5,5-Pentafluoropentyl)sulfinyl]nonyl]estra-1,3,5(10)-triene-3,17-diol-d3; Faslodex-d3; Fulvestrant-d3; ICI 182780-d3; ZD 182780-d3; ZD 9238-d3; ZM 182780-d3
IUPAC Name	(7R,13S,17S)-16,16,17-trideuterio-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-3,17-diol
Related CAS	129453-61-8 (unlabelled)
Canonical SMILES	CC12CCC3C(C1CCC2O)C(CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F
InChI	InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26?,27?,28+,29?,30+,41?/m1/s1/i14D2,28D
InChI Key	VWUXBMIQPBEWFH-HPOCVKHFSA-N
Melting Point	100-110°C
Purity	95.5% HPLC; 98% atom D
Appearance	White to Off-White Solid