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Fulvestrant

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Name

Fulvestrant

EINECS
CAS No. 129453-61-8 Density 1.201 g/cm3
Solubility Melting Point 104-106°C
Formula C32H47F5O3S Boiling Point 674.8 °C at 760 mmHg
Molecular Weight 606.77 Flash Point 361.9 °C
Transport Information Appearance white powder
Safety Risk Codes
Molecular Structure Molecular Structure of 129453-61-8 (Fulvestrant) Hazard Symbols
Synonyms

Faslodex;Estra-1,3,5(10)-triene-3,17-diol,7-[9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl]-, (7a,17b)-;ICI 182780;ZD 182780;ZD 9238;ZM 182780;

 

Fulvestrant Chemical Properties

Structure of Fulvestrant (CAS NO.129453-61-8):

IUPAC Name: (7R,8R,9S,13S,14S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-7,8,9,11,12,14,15,16,
17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Molecular Formula: C32H47F5O3S
Molar Mass: 606.77  g/mol
Flash Point: 361.9 °C
Boiling Point: 674.8°C at 760 mmHg
Vapour Pressure: 3.95E-19  mmHg at 25 °C
Density: 1.201 g/cm3
Storage Temp.: 2-8 °C 
Index of Refraction: 1.521
Molar Refractivity: 154.04 cm3
Molar Volume: 505.1 cm3
Surface Tension: 41.9 dyne/cm 
XLogP3: 9.2
H-Bond Donor: 2
H-Bond Acceptor: 8
Rotatable Bond Count: 14
Tautomer Count: 9
Exact Mass: 606.316607
MonoIsotopic Mass: 606.316607
Topological Polar Surface Area: 57.5
Heavy Atom Count: 41 
Canonical SMILES: CC12CCC3C(C1CCC2O)C(CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F
Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](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
InChIKey: VWUXBMIQPBEWFH-WCCTWKNTSA-N
Product Categories: Intermediates & Fine Chemicals; Pharmaceuticals; Nuclear Receptors

Fulvestrant Uses

 Fulvestrant (CAS NO.129453-61-8) is indicated for the treatment of hormone receptor positive metastatic breast cancer in postmenopausal women with disease progression following anti-estrogen therapy.

Fulvestrant Safety Profile

RTECS: KG7623000

Fulvestrant Specification

 Fulvestrant (CAS NO.129453-61-8) is also named as 7alpha-(9-((4,4,5,5,5-Pentafluoropentyl)sulfinyl)nonyl)estra-1,3,5(10)-triene-3,17beta-diol ; CCRIS 8741 ; Faslodex ; HSDB 7658 ; ICI 182,780 ; ICI 182780 ; UNII-22X328QOC4 ; ZM 182780 . Fulvestrant (CAS NO.129453-61-8) is white powder.

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