Tipredane
[CAS# 85197-77-9]

Identification

• Name: Tipredane
• Synonyms: (9R,17R)-17-(Ethylthio)-9-Fluoro-11-Hydroxy-10,13-Dimethyl-17-(Methylthio)-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-3-One; (11-Beta,17-Alpha)-17-(Ethylthio)-9-Fluoro-11-Hydroxy-17-(Methylthio)Androsta-1,4-Dien-3-One; 9-Fluoro-11Beta-Hydroxyandrosta-1,4-Diene-3,17-Dione (17R)-17-(Ethyl Methyl Mercaptole)
• Molecular Formula: C₂₂H₃₁FO₂S₂
• Molecular Weight: 410.60
• CAS Registry Number: 85197-77-9
• SMILES: [C@@]23(F)C(C1C([C@@](SCC)(SC)CC1)(CC2O)C)CCC4=CC(=O)C=CC34C
• InChI: 1S/C22H31FO2S2/c1-5-27-21(26-4)11-9-16-17-7-6-14-12-15(24)8-10-19(14,2)22(17,23)18(25)13-20(16,21)3/h8,10,12,16-18,25H,5-7,9,11,13H2,1-4H3/t16?,17?,18?,19?,20?,21-,22+/m1/s1
• InChIKey: DXEXNWDGDYUITL-XDPGLMMESA-N

Properties

• Density: 1.238g/cm³ (Cal.)
• Boiling point: 544.963°C at 760 mmHg (Cal.)
• Flash point: 283.384°C (Cal.)