Basic information
- CAS
5015-36-1- Standard SMILES
C[C@H]1C[C@@H]2[C@H]([C@@H](O)C[C@@]3(C)[C@H]2CC[C@]3(O)C(=O)COP(=O)([O-])[O-])[C@@]2(C)C=CC(=O)C=C12.[Na+].[Na+]- InChIKey
FVKLXKOXTMCACB-VJWYNRERSA-L- Molecular formula
- C22H29Na2O8P
- Average molar mass
- 498.4 g/mol
- Monoisotopic mass
- 498.13954308
Overview
RN given refers to di-Na salt(6alpha,11beta)-isomer
Names & identifiers
- Preferred name
- Methylprednisolone Sodium Phosphate
- IUPAC
- disodium;[2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] phosphate
- English name
- Pregna-1,4-diene-3,20-dione, 11,17-dihydroxy-6-methyl-21-(phosphonooxy)-, disodium salt, (6alpha,11beta)-
- Molecular formula
- C66H90Na3O19P
- Molecular weight
- 1287.352471
Names & synonyms
METHYLPREDNISOLONE SODIUM PHOSPHATE5015-36-1Medrol StabisolU-12,019E6089CVN95VU-12019EDTXSID30198222RefChem:158296DTXCID60120713225-694-4Methylprednisolone Sodium Phosphate [USAN]11beta,17,21-Trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione 21-(disodium phosphate)
Show more names
Methylprednisolone Disodium Phosphate11β,17,20-Trihydroxy-6α-methylpregna-1,4-diene-3,20-dione 21-disodium phosphate11β,17-Dihydroxy-6-methyl-21-phosphonooxypregna-1,4-diene-3,20-dione disodium saltdisodium [2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] phosphatedisodium [2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] phosphatedisodium [2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-3-keto-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] phosphate
disodium;[2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] phosphateMethylprednisolone sodium phosphate (USAN)UNII-6089CVN95VEINECS 225-694-4U 12,019ESCHEMBL1237362CHEMBL3989785Pregna-1,4-diene-3,20-dione, 11,17-dihydroxy-6-methyl-21-(phosphonooxy)-, disodium salt, (6alpha,11beta)-
Database identifiers
- CAS
5015-36-1- PubChem CID
- 21115
- DTXSID
DTXSID30198222- ChEMBL
CHEMBL3989785- UNII
- 6089CVN95V
- EC Number
- 225-694-4
- Nikkaji
- J658.569H
Properties
Computed structural properties
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 909
Physicochemical properties
- FDA UNII
- 6089 CVN95V · 6089CVN95V
Chemistry & industry
Applications
UsesGlucocorticoid.
Suppliers1 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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