Pregna-1,4-diene-3,20-dione, 11,17-dihydroxy-6-methyl-21-((8-(methyl(2-sulfoethyl)amino)-1,8-dioxooctyl)oxy)-, (6alpha,11beta)-
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Pregna-1,4-diene-3,20-dione, 11,17-dihydroxy-6-methyl-21-((8-(methyl(2-sulfoethyl)amino)-1,8-dioxooctyl)oxy)-, (6alpha,11beta)-
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CAS No:
121807-10-1
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Formula:
C33H49NO10S
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Chemical Name:
Pregna-1,4-diene-3,20-dione, 11,17-dihydroxy-6-methyl-21-((8-(methyl(2-sulfoethyl)amino)-1,8-dioxooctyl)oxy)-, (6alpha,11beta)-
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Synonyms:
Methylprednisolone 21-suleptanic acid ester;UNII-3O5T2NJE2D;Methylprednisolone suleptanate free acid;3O5T2NJE2D;121807-10-1;60239-66-9;CHEMBL1697783;SCHEMBL13524225;CHEBI:156480;ZINC4213831;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;Pregna-1,4-diene-3,20-dione, 11,17-dihydroxy-6-methyl-21-((8-(methyl(2-sulfoethyl)amino)-1,8-dioxooctyl)oxy)-, (6alpha,11beta)-;6alpha-methylprednisolone 21-suleptanic acid ester;Q27257811;2-[{8-[(11beta,17-dihydroxy-6alpha-methyl-3,20-dioxopregna-1,4-dien-21-yl)oxy]-8-oxooctanoyl}(methyl)amino]ethane-1-sulfonic acid;2-[{8-[(11beta,17-dihydroxy-6alpha-methyl-3,20-dioxopregna-1,4-dien-21-yl)oxy]-8-oxooctanoyl}(methyl)amino]ethanesulfonic acid
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CAS No:
Description
Methylprednisolone 21-suleptanic acid ester is a carboxylic ester resulting from the formal condensation of the 21-hydroxy group of 6alpha-methylprednisolone with the carboxy group of 8-[methyl(2-sulfoethyl)amino]-8-oxooctanoic acid. It is a carboxylic ester, an 11beta-hydroxy steroid, a 17alpha-hydroxy steroid, a 20-oxo steroid, a 3-oxo-Delta(1),Delta(4)-steroid, a tertiary carboxamide and an organosulfonic acid. It derives from a 6alpha-methylprednisolone. It is a conjugate acid of a methylprednisolone 21-suleptanic acid ester(1-).
Pregna-1,4-diene-3,20-dione, 11,17-dihydroxy-6-methyl-21-((8-(methyl(2-sulfoethyl)amino)-1,8-dioxooctyl)oxy)-, (6alpha,11beta)- Basic Attributes
651.8 g/mol
651.30771793 g/mol
3O5T2NJE2D
Computed Properties
Molecular Weight:651.8
XLogP3:2.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:14
Exact Mass:651.30771793
Monoisotopic Mass:651.30771793
Topological Polar Surface Area:184
Heavy Atom Count:45
Complexity:1350
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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