Deacylcortivazol 21-Mesylate
[CAS# 50630-90-5]

Identification

• Name: Deacylcortivazol 21-Mesylate
• Synonyms: 2'H-Pregna-2,4,6-Trieno(3,2-C)Pyrazol-20-One, 11,17-Dihydroxy-6,16-Dimethyl-21-((Methylsulfonyl)Oxy)-2'-Phenyl-, (11Beta,16Alpha)-; Deacylcortivazol 21-Mesylate
• Molecular Formula: C₃₁H₃₈N₂O₆S
• Molecular Weight: 566.71
• CAS Registry Number: 50630-90-5
• SMILES: [C@H]56[C@H]4[C@@H]([C@@]1(C(=CC2=C(C1)C=N[N]2C3=CC=CC=C3)C(=C4)C)C)[C@@H](O)C[C@@]5([C@](O)([C@@H](C6)C)C(=O)CO[S](=O)(=O)C)C
• InChI: 1S/C31H38N2O6S/c1-18-11-22-24-12-19(2)31(36,27(35)17-39-40(5,37)38)30(24,4)15-26(34)28(22)29(3)14-20-16-32-33(25(20)13-23(18)29)21-9-7-6-8-10-21/h6-11,13,16,19,22,24,26,28,34,36H,12,14-15,17H2,1-5H3/t19-,22+,24+,26+,28-,29+,30+,31+/m1/s1
• InChIKey: ZTIPMRARWYTJJD-WSHUFMFXSA-N

Properties

• Density: 1.397g/cm³ (Cal.)
• Boiling point: 750.443°C at 760 mmHg (Cal.)
• Flash point: 407.653°C (Cal.)