Molecular Identity
Dexamethasone Phosphate
[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-oxoethyl] dihydrogen phosphate
PubChem CID: 9400
Dexamethasone phosphate is a steroid phosphate that is the 21-O-phospho derivative of dexamethasone. It has a role as a glucocorticoid receptor agonist. It is a tertiary alpha-hydroxy ketone, an 11beta-hydroxy steroid, a 17-hydroxy steroid, a steroid phosphate, a 3-oxo-Delta(4) steroid and a fluorinated steroid. It is functionally related to a dexamethasone. It is a conjugate acid of a dexamethasone phosphate(2-).
2D Structure
Properties
C22H30FO8P
Molecular Formula
472.40
Molecular Weight
g/mol
472.1662
Exact Mass
Da
0.1
XLogP
Drug-like (Lipinski: < 5)
141
TPSA
May have limited oral absorption
4
H-Bond Donors
9
H-Bond Acceptors
973
Complexity
SMILES
Canonical SMILES
SMILES: CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COP(=O)(O)O)O)C)O)F)CIsomeric 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)CSynonyms(20)
dexamethasone phosphate312-93-6Dexamethasone 21-phosphateBetnelan phosphateHexadrol phosphateDexamethasone 21-orthophosphateDexamethasone-21-dihydrogen-phosphateEGP-4372BP70L44PRDTXSID2047430CHEBI:68637(11beta,16alpha)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl dihydrogen phosphate9-Fluoro-11beta,17,21-trihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 21-(dihydrogen phosphate)AL38905AL-38905
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Dexamethasone Phosphate
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