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Fulvestrant-9-sulfone-[d3]

General Information
Catalog: BLP-005511
Molecular Formula: C32H44D3F5O4S
Molecular Weight: 625.79
Chemical Structure
Fulvestrant-9-sulfone-[d3]
Description An isotope labelled metabolite of Fulvestrant. Fulvestrant is a selective estrogen receptor degrader and can be used to treat hormone receptor (HR)-positive metastatic breast cancer.
Synonyms Fulvestrant-9-sulfone D3; (7a,17b)-7-[9-[(4,4,5,5,5-Pentafluoropentyl)sulfonyl]nonyl]estra-1,3,5(10)-triene-3,17-diol-d3
IUPAC Name (7R,13S,17S)-16,16,17-trideuterio-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfonyl)nonyl]-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-3,17-diol
Related CAS 98008-06-1 (unlabelled)
Canonical SMILES CC12CCC3C(C1CCC2O)C(CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)(=O)CCCC(C(F)(F)F)(F)F
InChI InChI=1S/C32H47F5O4S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-42(40,41)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+/m1/s1/i14D2,28D
InChI Key NQYWBGDKCPOMGL-FHKSRLEMSA-N
Purity 95% by HPLC; 98% atom D
Appearance White Solid
Storage Store at -20°C

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