Methylprednisolone 21-suleptanic acid ester

2-[[8-[2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-8-oxooctanoyl]-methylamino]ethanesulfonic acid

CAS: 121807-10-1

Molecular Formula	`C33H49NO10S`
Molecular Weight	651.8 g/mol
LogP	2.8
Topological Polar Surface Area	184.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	10
Rotatable Bonds	14
Exact Mass	651.30774
Heavy Atoms	45
Complexity	1350.0

Chemical Identifiers

CAS Number	121807-10-1
SMILES	`CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)C=C4)C)O)C)(C(=O)COC(=O)CCCCCCC(=O)N(C)CCS(=O)(=O)O)O`
InChIKey	`PSCNNGGPKIBAHB-WFVOKNHCSA-N`

📖 Product Overview

Methylprednisolone 21-suleptanic acid ester (CAS: 121807-10-1) is a chemical compound with molecular formula C33H49NO10S and molecular weight 651.8 g/mol. Its IUPAC systematic name is 2-[[8-[2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-8-oxooctanoyl]-methylamino]ethanesulfonic acid. LogP 2.8 Topological Polar Surface Area 184.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 10 Rotatable Bonds 14 Exact Mass 651.30774 Heavy Atoms 45 Complexity 1350.0 InChI Key: PSCNNGGPKIBAHB-WFVOKNHCSA-N. SMILES: CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)C=C4)C)O)C)(C(=O)COC(=O)CCCCCCC(=O)N(C)CCS(=O)(=O)O)O.

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