S-(Chloromethyl) (6alpha,11alpha,16alpha,17alpha)-6,9-difluoro-11,17-dihydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carbothioate
[CAS# 87556-66-9]

Identification

• Name: S-(Chloromethyl) (6alpha,11alpha,16alpha,17alpha)-6,9-difluoro-11,17-dihydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carbothioate
• Synonyms: cloticasone; S-(Chloromethyl) (6α,11β,16α,17α)-6,9-difluoro-11,17-dihydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carbothioate
• Molecular Formula: C₂₂H₂₇ClF₂O₄S
• Molecular Weight: 460.96
• CAS Registry Number: 87556-66-9
• SMILES: CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)SCCl)O)C)O)F)C)F
• InChI: 1S/C22H27ClF2O4S/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-19(15,2)21(14,25)17(27)9-20(13,3)22(11,29)18(28)30-10-23/h4-5,7,11,13-14,16-17,27,29H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19+,20+,21+,22+/m1/s1
• InChIKey: ANLWAEZHUOEOTI-GQKYHHCASA-N

Properties

• Density: 1.399g/cm³ (Cal.)
• Boiling point: 569.527°C at 760 mmHg (Cal.)
• Flash point: 298.239°C (Cal.)