Prednisolone 21-(3-Sulphobenzoate) Sodium Salt
[CAS# 630-67-1]

Identification

• Name: Prednisolone 21-(3-Sulphobenzoate) Sodium Salt
• Synonyms: Sodium 3-[2-(11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Yl)-2-Oxo-Ethoxy]Carbonylbenzenesulfonate; Sodium 3-[[2-(11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Yl)-2-Oxoethoxy]-Oxomethyl]Benzenesulfonate; Sodium 3-[2-(11,17-Dihydroxy-3-Keto-10,13-Dimethyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Yl)-2-Keto-Ethoxy]Carbonylbenzenesulfonate
• Molecular Formula: C₂₈H₃₁NaO₉S
• Molecular Weight: 566.60
• CAS Registry Number: 630-67-1 (3694-41-5)
• EINECS: 211-141-4
• SMILES: C5=C(C(OCC(=O)C4(O)C3(C(C2C(C1(C(=CC(=O)C=C1)CC2)C)C(O)C3)CC4)C)=O)C=CC=C5[S]([O-])(=O)=O.[Na+]
• InChI: 1S/C28H32O9S.Na/c1-26-10-8-18(29)13-17(26)6-7-20-21-9-11-28(33,27(21,2)14-22(30)24(20)26)23(31)15-37-25(32)16-4-3-5-19(12-16)38(34,35)36;/h3-5,8,10,12-13,20-22,24,30,33H,6-7,9,11,14-15H2,1-2H3,(H,34,35,36);/q;+1/p-1
• InChIKey: RWFZSORKWFPGNE-UHFFFAOYSA-M