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357-09-5

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Basic Information
CAS No.: 357-09-5
Name: Fluorohydroxyandrostenedione
Molecular Structure:
Molecular Structure of 357-09-5 (Fluorohydroxyandrostenedione)
Formula: C19H25 F O3
Molecular Weight: 320.44
Synonyms: Androst-4-ene-3,17-dione,9-fluoro-11b-hydroxy- (6CI,7CI,8CI);Fluorohydroxyandrostenedione; U 5438
Density: 1.23g/cm3
Boiling Point: 473.7°Cat760mmHg
Flash Point: 240.3°C
Safety: An experimental teratogen. Experimental reproductive effects. A steroid. When heated to decomposition it emits toxic fumes of F−.
PSA: 54.37000
LogP: 3.15030
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Chemistry

Product Name: Fluorohydroxyandrostenedione (CAS NO.357-09-5)


Molecular Formula: C19H25FO3
Molecular Weight: 320.44g/mol
Mol File: 357-09-5.mol
Boiling point: 404.4 °C at 760 mmHg
Flash Point: 198.4 °C
Surface Tension: 46.1 dyne/cm
Enthalpy of Vaporization: 75.8 kJ/mol
Vapour Pressure: 3.17E-08 mmHg at 25°C
XLogP3-AA: 1.6
H-Bond Donor: 1
H-Bond Acceptor: 4
Structure Descriptors of Fluorohydroxyandrostenedione (CAS NO.357-09-5):
  IUPAC Name: (8S,9R,10S,11S,13S)-9-fluoro-11-hydroxy-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione
  Canonical SMILES: CC12CCC(=O)C=C1CCC3C2(C(CC4(C3CCC4=O)C)O)F
  Isomeric SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@]2([C@H](C[C@]4(C3CCC4=O)C)O)F
  InChI: InChI=1S/C19H25FO3/c1-17-10-16(23)19(20)14(13(17)5-6-15(17)22)4-3-11-9-12(21)7-8-18(11,19)2/h9,13-14,16,23H,3-8,10H2,1-2H3/t13?,14-,16-,17-,18-,19-/m0/s1 
  InChIKey: SHJZUHWENQCCJH-MQYSCIAUSA-N

Toxicity Data With Reference

1.    

orl-rat TDLo:600 mg/kg (9-14D preg):TER

     JRPFA4    Journal of Reproduction and Fertility. 39 (1974),319.
2.    

orl-rat TDLo:100 mg/kg (3-7D preg):REP

     JRPFA4    Journal of Reproduction and Fertility. 39 (1974),319.

Safety Profile

An experimental teratogen. Experimental reproductive effects. A steroid. When heated to decomposition it emits toxic fumes of F−.

Specification

 Fluorohydroxyandrostenedione , its CAS NO. is 357-09-5, the synonyms is 4-08-00-02161 (Beilstein Handbook Reference) ; 9-alpha-Fluoro-11-beta-hydroxy-4-androstene-3,17-dione ; BRN 3159067 ; U-5438 ; Androst-4-ene-3,17-dione, 9-fluoro-11-beta-hydroxy- ; Androst-4-ene-3,17-dione, 9-fluoro-11-hydroxy-, (11-beta)- (9CI) .