Basic information
- CAS
22252-38-6- 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- InChIKey
PWTIEVRZANUUHG-PJHHCJLFSA-N- Molecular formula
- C22H31O8P
- Average molar mass
- 454.4 g/mol
- Monoisotopic mass
- 454.17565494
Names & identifiers
- Preferred name
- 11beta,17,21-Trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione 21-(dihydrogen phosphate)
- IUPAC
- [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] dihydrogen phosphate
- English name
- 11beta,17,21-trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione 21-(dihydrogen phosphate)
- Molecular formula
- C22H31O8P
- Molecular weight
- 454.45
Names & synonyms
22252-38-6Methylprednisolone 21-(dihydrogen phosphate)11beta,17,21-Trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione 21-(dihydrogen phosphate)1D9M23IY4YMethylprednisolone Phosphoric Acidmethylprednisolone dihydrogen phosphateEINECS 244-869-6UNII-1D9M23IY4YCHEMBL2111028SCHEMBL17131135DTXSID30944908METHYLPREDNISOLONE 21-PHOSPHATE
Show more names
Methylprednisolone phosphate11β,17-Dihydroxy-6α-methyl-21-phosphonooxypregna-1,4-diene-3,20-dionePregna-1,4-diene-3,20-dione, 11,17-dihydroxy-6-methyl-21-(phosphonooxy)-, (6α,11β)-
Q2725227111,17-Dihydroxy-6-methyl-3,20-dioxopregna-1,4-dien-21-yl dihydrogen phosphate11beta,17-Dihydroxy-6alpha-methyl-3,20-dioxopregna-1,4-dien-21-yl dihydrogen phosphatePREGNA-1,4-DIENE-3,20-DIONE, 11,17-DIHYDROXY-6-METHYL-21-(PHOSPHONOOXY)-, (6.ALPHA.,11.BETA.)-PREGNA-1,4-DIENE-3,20-DIONE, 11.BETA.,17,21-TRIHYDROXY-6.ALPHA.-METHYL-, 21-(DIHYDROGEN PHOSPHATE)
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 920
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- FDA UNII
- 1 D9M23IY4Y · 1D9M23IY4Y
Chemistry & industry
Applications
UsesGlucocorticoid.
Suppliers1 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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