Prednisolone metasulfobenzoate structure

Prednisolone metasulfobenzoate

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]carbonylbenzenesulfonic acid

Also Known As: Prednisolone metasulfobenzoate, 3-{[(11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl)oxy]carbonyl}benzenesulfonic acid, 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]carbonylbenzenesulfonic acid

CAS: 39175-74-1
Molecular Formula C28H32O9S
Molecular Weight 544.1767 g/mol
LogP 2.67
Topological Polar Surface Area 155.27 Ų
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 8
Rotatable Bonds 5
Exact Mass 544.1767
Heavy Atoms 38
Complexity 1378

Chemical Identifiers

CAS Number 39175-74-1
SMILES CC12CC(C3C(C1CCC2(C(=O)COC(=O)C4=CC(=CC=C4)S(=O)(=O)O)O)CCC5=CC(=O)C=CC35C)O

Product Overview

Prednisolone metasulfobenzoate (CAS 39175-74-1), with molecular formula C28H32O9S and molecular weight 544.1767 g/mol. IUPAC: 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]carbonylbenzenesulfonic acid.

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