Sodium 3-({[(11beta,16alpha)-9-Fluoro-11-Hydroxy-16-Methyl-3,20-Dioxopregna-1,4-Dien-21-Yl]Oxy}Carbonyl)Benzenesulfonate
[CAS# 37413-97-1]

Identification

• Name: Sodium 3-({[(11beta,16alpha)-9-Fluoro-11-Hydroxy-16-Methyl-3,20-Dioxopregna-1,4-Dien-21-Yl]Oxy}Carbonyl)Benzenesulfonate
• Synonyms: Pregna-1,4-diene-3,20-dione, 9-fluoro-11-hydroxy-16-methyl-21-[(3-sulfobenzoyl)oxy]-, monosodium salt, (11β,16α)-
• Molecular Formula: C₂₉H₃₂FNaO₈S
• Molecular Weight: 582.61
• CAS Registry Number: 37413-97-1
• EINECS: 253-498-9
• SMILES: [Na+].[O-]S(=O)(=O)c1cccc(c1)C(=O)OCC(=O)[C@H]5[C@H](C)C[C@H]4[C@@H]3CC/C2=C/C(=O)/C=C\[C@]2(C)[C@@]3(F)[C@@H](O)C[C@@]45C
• InChI: 1S/C29H33FO8S.Na/c1-16-11-22-21-8-7-18-13-19(31)9-10-28(18,3)29(21,30)24(33)14-27(22,2)25(16)23(32)15-38-26(34)17-5-4-6-20(12-17)39(35,36)37;/h4-6,9-10,12-13,16,21-22,24-25,33H,7-8,11,14-15H2,1-3H3,(H,35,36,37);/q;+1/p-1/t16-,21+,22+,24+,25-,27+,28+,29+;/m1./s1
• InChIKey: YSGNXNJCNVKEIN-FVKNIENFSA-M