Molecular Identity
Betamethasone Sodium Phosphate
disodium;[2-[(8S,9R,10S,11S,13S,14S,16S,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-oxoethyl] phosphate
PubChem CID: 65478
Betamethasone sodium phosphate is an organic sodium salt that is the disodium salt of betamethasone phosphate. It is a tertiary alpha-hydroxy ketone and an organic sodium salt. It contains a betamethasone phosphate(2-).
2D Structure
Properties
C22H28FNa2O8P
Molecular Formula
516.40
Molecular Weight
g/mol
516.1301
Exact Mass
Da
147
TPSA
May have limited oral absorption
2
H-Bond Donors
9
H-Bond Acceptors
961
Complexity
SMILES
Canonical SMILES
SMILES: CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COP(=O)([O-])[O-])O)C)O)F)C.[Na+].[Na+]Isomeric SMILES
SMILES: C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COP(=O)([O-])[O-])O)C)O)F)C.[Na+].[Na+]Synonyms(20)
151-73-5Betamethasone sodium phosphateBetamethasone disodium phosphateBetamethasone 21-disodium phosphateBetamethasone 21-phosphate disodiumBetamethasone 21-phosphate disodium saltBetamethazone disodium phosphateDTXSID80471377BK02SCL3W9-Fluoro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 21-(disodium phosphate)NSC-90616CHEBI:3078DTXCID6027137Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-(phosphonooxy)-, disodium salt, (11beta,16beta)-betamethason sodium phosphate
Data from PubChem (NCBI)
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