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Chemical structure of Fulvestrant S enantiomer

GC36089

Fulvestrant S enantiomer

Also known as (7R,8S,9S,13R,14S)-13-methyl-7-[9-[(S)-4,4,5,5,5-pentafluoropentylsulfinyl]nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol

Fulvestrant S enantiomer (ICI 182780 S enantiomer) is the S enantiomer of Fulvestrant· Fulvestrant is a potent estrogen receptor antagonist with an IC50 of 9·4 nM

ChemicalCAS1316849-17-8MW606.77FormulaC32H47F5O3S
CAS number
1316849-17-8
Molecular weight
606.77
Formula
C32H47F5O3S
Solubility
Soluble in DMSO
InChIKey
VWUXBMIQPBEWFH-JSEPIYAZSA-N
Catalogue number
GC36089
Brand
GLPBIO
Computed properties PubChem CID 138106603 · XLogP 9.2 · TPSA 76.7 Ų · H-bond donors 2
XLogP
9.2
TPSA
76.7 Ų
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
14
Heavy atoms
41

SMILES C[C@@]12CC[C@H]3[C@@H]([C@@H]1CCC2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCC[S@](=O)CCCC(C(F)(F)F)(F)F

Computed descriptors from PubChem (CID 138106603), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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