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Dexamethasone Sodium Sulfobenzoate

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For Research Use Only | Not For Clinical Use
CATAPS3936025
CAS3936-02-5
Structure
SynonymsDexamethasone sulfobenzoate sodium, Sisotek,9-Fluoro-11,17-dihydroxy-16-methyl-21-[(3-sulfobenzoyl)oxy]pregna-1,4-diene-3,20-dione Sodium Salt (1:1), Dexamethasone 21-sodium-m-sulfobenzoate, Sodium dexamethasone-m-sulfobenzoate, Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-[(3-sulfobenzoyl)oxy]-, monosodium salt, (11beta,16alpha)- (9CI), Dexamethasone metasulfobenzoate sodium, Dexamethasone m-sulfobenzoate sodium, 21-(3-Sulfobenzoyloxy)dexamethasone sodium salt, Dexamethasone sodium m-sulfobenzoate, Pregna-1,4-diene-3,20-dione, 9-fluoro-11beta,17,21-trihydroxy-16alpha-methyl-, 21-(m-sulfobenzoate), monosodium salt (8CI), Pregna-1,4-diene-3,20-dione, 9-fluoro-11beta,17,21-trihydroxy-16alpha-methyl-, 21-m-sulfobenzoate, sodium salt (7CI)
IUPAC Namesodium;3-[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]carbonylbenzenesulfonate
Molecular Weight598.61
Molecular FormulaC29H32FO9S.Na
Canonical SMILES[Na+].C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)c5cccc(c5)S(=O)(=O)[O-]
InChIInChI=1S/C29H33FO9S.Na/c1-16-11-22-21-8-7-18-13-19(31)9-10-26(18,2)28(21,30)23(32)14-27(22,3)29(16,35)24(33)15-39-25(34)17-5-4-6-20(12-17)40(36,37)38
Accurate Mass598.1649
FormatNeat
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