CAS: 16978-57-7 - dexamethasone 21-(sodium 3-sulphobenzoate)

Formula:C₂₉H₃₃FO₉S

InChI:InChI=1S/C29H33FO9S/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/h4-6,9-10,12-13,16,21-23,32,35H,7-8,11,14-15H2,1-3H3,(H,36,37,38)/t16-,21+,22+,23+,26+,27+,28+,29+/m1/s1

InChI key:InChIKey=TWQWRHIQRAZHPR-XNXCGYEVSA-N

SMILES:O=C1C=CC2(C(=C1)CCC3C4CC(C)C(O)(C(=O)COC(=O)C5=CC=CC(=C5)S(=O)(=O)O)C4(C)CC(O)C32F)C

• Synonyms:
• (11β,16α)-9-Fluoro-11,17-dihydroxy-16-methyl-21-[(3-sulfobenzoyl)oxy]pregna-1,4-diene-3,20-dione
• 3-({[(11Beta,16Alpha)-9-Fluoro-11,17-Dihydroxy-16-Methyl-3,20-Dioxopregna-1,4-Dien-21-Yl]Oxy}Carbonyl)Benzenesulfonic Acid
• Benzoic acid, m-sulfo-, 2-ester with 9-fluoro-11β,17,21-trihydroxy-16α-methylpregna-1,4-diene-3,20-dione
• Dexamethasone m-sulfobenzoate
• Dexamethasone-21-sulfobenzoate
• Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-[(3-sulfobenzoyl)oxy]-, (11β,16α)-
• Pregna-1,4-diene-3,20-dione, 9-fluoro-11β,17,21-trihydroxy-16α-methyl-, 21-m-sulfobenzoate