90349-23-8 Purity
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Specification
The molecular formula is C33H48NNaO10S.
Some synonyms include Medrosol, Promedrol, and U-67590A.
It was created on 2008-02-05 and last modified on 2023-12-30.
It is an organic sodium salt that is the monosodium salt of methylprednisolone 21-suleptanic acid ester, developed for the treatment of asthma.
The IUPAC name is sodium;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]ethanesulfonate.
The InChIKey is CDMLLMOLWUKNEK-AOHDELFNSA-M.
The molecular weight is 673.8 g/mol.
The Canonical SMILES is 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.[Na+].
Some other identifiers include CAS number 90350-40-6, UNII G6CS53NCVS, and ChEMBL ID CHEMBL2106453.
Some computed properties include a hydrogen bond donor count of 2, a hydrogen bond acceptor count of 10, and a topological polar surface area of 187 Å2.