IUPAC Name: Potassium 3-[(10S,11S,13S,17R)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo 1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]propanoate
Synonyms of Catatoxic Steroid No. 1 (CAS NO.595-57-3): 9-alpha-Fluoro-11-beta,17-dihydroxy-3-oxo-4-androstene-17-alpha-propionic acid potassium ; 9alpha-Fluoro-11beta,17-dihydroxy-3-oxo-4-androstene-17alpha-propionic acid ; 17-alpha-Pregn-4-ene-21-carboxylic acid, 9-fluoro-11-beta,17-dihydroxy-3-oxo-, monopotassium salt
InChI: InChI=1/C22H31FO5.K/c1-19-8-5-14(24)11-13(19)3-4-16-15-6-9-21(28,10-7-18(26)27)20(15,2)12-17(25)22(16,19)23;/h11,15-17,25,28H,3-10,12H2,1-2H3,(H,26,27);/q;+1/p-1/t15?,16?,17-,19-,20-,21+,22?;/m0./s1
InChIKey: QCXHKKYTSUZRDF-NJMVKNDTBT
Std. InChI: InChI=1S/C22H31FO5.K/c1-19-8-5-14(24)11-13(19)3-4-16-15-6-9-21(28,10-7-18(26)27)20(15,2)12-17(25)22(16,19)23;/h11,15-17,25,28H,3-10,12H2,1-2H3,(H,26,27);/q;+1/p-1/t15?,16?,17-,19-,20-,21+,22?;/m0./s1
Std. InChIKey: QCXHKKYTSUZRDF-KJVJEOKVSA-M
CAS NO: 595-57-3
Molecular Formula: C₂₂H₃₀FKO₅
Molecular Weight: 432.5673
Molecular Structure :
H bond acceptors: 5
H bond donors: 3
Freely Rotating Bonds: 5
Polar Surface Area: 72.83 Å²
Flash Point: 307.8 °C
Enthalpy of Vaporization: 100.38 kJ/mol
Boiling Point: 585.3 °C at 760 mmHg
Vapour Pressure: 3.86E-16 mmHg at 25°C

An experimental teratogen. Other experimental reproductive effects. When Catatoxic Steroid No. 1 (CAS NO.595-57-3) is heated to decomposition ,it emits toxic fumes of F⁻ and K₂O.