Identification | Back Directory | [Name]
Fulvestrant 9-Sulfone | [CAS]
98008-06-1 | [Synonyms]
Fulvestrant 9-Sulfone Fulvestrant EP impurity B Fulvestrant EP Impurity B / Fulvestrant Sulfone Fulvestrant-9-Sulfone(Fulvestrant EP Impurity B) Fulvestrant EP Impurity B (Fulvestrant 9-Sulfone) Fulvestrant Impurity 2(Fulvestrant EP Impurity B) (7α,17β)-7-[9-[(4,4,5,5,5-Pentafluoropentyl)sulfonyl]nonyl]estra-1,3,5(10)-triene-3,17-diol Estra-1,3,5(10)-triene-3,17-diol, 7-[9-[(4,4,5,5,5-pentafluoropentyl)sulfonyl]nonyl]-, (7α,17β)- (7R,8R,9S,13S,14S,17S)-13-methyl-7-(9-((4,4,5,5,5-pentafluoropentyl)sulfonyl)nonyl)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol Fulvestrant impurity 2/Fulvestrant EP Impurity B/Fulvestrant 9-Sulfone/(7R,8R,9S,13S,14S,17S)-13-Methyl-7-(9-((4,4,5,5,5-pentafluoropentyl) sulfonyl)nonyl)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol | [Molecular Formula]
C32H47F5O4S | [MDL Number]
MFCD19704987 | [MOL File]
98008-06-1.mol | [Molecular Weight]
622.77 |
Chemical Properties | Back Directory | [Melting point ]
64-73°C | [Boiling point ]
684.7±55.0 °C(Predicted) | [density ]
1.205±0.06 g/cm3(Predicted) | [storage temp. ]
-20°C Freezer | [solubility ]
DMSO (Slightly), Methanol (Slightly) | [form ]
Solid | [pka]
10.27±0.70(Predicted) | [color ]
Off-White to Pale Yellow | [InChIKey]
NQYWBGDKCPOMGL-LBPJHIFHNA-N | [SMILES]
c1cc2[C@@H]3CC[C@]4(C)[C@@H](O)CC[C@@H]4[C@@H]3[C@@H](CCCCCCCCCS(=O)(=O)CCCC(F)(F)C(F)(F)F)Cc2cc1O |&1:3,6,8,12,13,14,r| | [EPA Substance Registry System]
Fulvestrant sulfone (98008-06-1) |
Hazard Information | Back Directory | [Chemical Properties]
Off-White Solid | [Uses]
A metabolite of Fulvestrant (F862500). | [Definition]
ChEBI: Fulvestrant 9-sulfone is a 3-hydroxy steroid. |
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