ChemicalBook--->CAS DataBase List--->98008-06-1

98008-06-1

98008-06-1 Structure

98008-06-1 Structure
IdentificationBack 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 PropertiesBack 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)
Safety DataBack Directory
[Symbol(GHS) ]

Health Hazard (GHS08)Environment (GHS09)
GHS08,GHS09
[Signal word ]

Danger
[Hazard statements ]

H362-H410-H360
[Precautionary statements ]

P273-P391-P501-P201-P260-P263-P264-P270-P308+P313
Hazard InformationBack 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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