Dexamethasone-21-sulfobenzoate

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]carbonylbenzenesulfonic acid

CAS: 16978-57-7

Molecular Formula	`C29H33FO9S`
Molecular Weight	576.6 g/mol
LogP	3.2
Topological Polar Surface Area	164.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	10
Rotatable Bonds	6
Exact Mass	576.1829
Heavy Atoms	40
Complexity	1290.0

Chemical Identifiers

CAS Number	16978-57-7
SMILES	`CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COC(=O)C5=CC(=CC=C5)S(=O)(=O)O)O)C)O)F)C`
InChIKey	`TWQWRHIQRAZHPR-XNXCGYEVSA-N`

📖 Product Overview

Dexamethasone-21-sulfobenzoate (CAS: 16978-57-7) is a chemical compound with molecular formula C29H33FO9S and molecular weight 576.6 g/mol. Its IUPAC systematic name is 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]carbonylbenzenesulfonic acid. LogP 3.2 Topological Polar Surface Area 164.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 10 Rotatable Bonds 6 Exact Mass 576.1829 Heavy Atoms 40 Complexity 1290.0 InChI Key: TWQWRHIQRAZHPR-XNXCGYEVSA-N. SMILES: CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COC(=O)C5=CC(=CC=C5)S(=O)(=O)O)O)C)O)F)C.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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