Butixocort
[CAS# 120815-74-9]

Identification

• Name: Butixocort
• Synonyms: Butanoic Acid [(8S,9S,10R,11S,13S,14S,17R)-11-Hydroxy-17-(2-Mercapto-1-Oxoethyl)-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Ester; Butyric Acid [(8S,9S,10R,11S,13S,14S,17R)-11-Hydroxy-3-Keto-17-(2-Mercaptoacetyl)-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Ester; [(8S,9S,10R,11S,13S,14S,17R)-11-Hydroxy-10,13-Dimethyl-3-Oxo-17-(2-Sulfanylethanoyl)-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Butanoate
• Molecular Formula: C₂₅H₃₆O₅S
• Molecular Weight: 448.62
• CAS Registry Number: 120815-74-9
• SMILES: [C@]4([C@@]3([C@H]([C@H]2[C@@H]([C@@]1(C(=CC(=O)CC1)CC2)C)[C@H](C3)O)CC4)C)(OC(CCC)=O)C(CS)=O
• InChI: 1S/C25H36O5S/c1-4-5-21(29)30-25(20(28)14-31)11-9-18-17-7-6-15-12-16(26)8-10-23(15,2)22(17)19(27)13-24(18,25)3/h12,17-19,22,27,31H,4-11,13-14H2,1-3H3/t17-,18-,19-,22+,23-,24-,25-/m0/s1
• InChIKey: HOAKOHHSHOCDLI-TUFAYURCSA-N

Properties

• Density: 1.218g/cm³ (Cal.)
• Boiling point: 581.46°C at 760 mmHg (Cal.)
• Flash point: 305.456°C (Cal.)