Basic information
- CAS
1247-42-3- Standard SMILES
CC1CC2C3CCC4=CC(=O)C=CC4(C)C3C(=O)CC2(C)C1(O)C(=O)CO- InChIKey
PIDANAQULIKBQS-UHFFFAOYSA-N- Molecular formula
- C22H28O5
- Average molar mass
- 372.5 g/mol
- Monoisotopic mass
- 372.19367399
Names & identifiers
- Preferred name
- Betalone
- IUPAC
- 17-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione
- English name
- Meprednisone
- Molecular formula
- C22H28O5
- Molecular weight
- 372.45
Names & synonyms
Betalone17-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dioneBetanisonaBitanisoneLepicortin-betaDeltisona BDeltacortene betaBetapredDeltacortone Beta16a-Methyl-11-oxo Prednisolone16.beta.-MethylprednisoneHMS5079J12
Show more names
Methylprednisone16-BETA-METHYLPREDNISONEBETAPARSch 4358NSC 527579deltisonab
MFCD31563183s1689AKOS015895270LS-14958EN300-296066H56890Pregna-1,11,20-trione, 17,21-dihydroxy-16.beta.-methyl-Pregna-1,11,20-trione, 17,21-dihydroxy-16-methyl-, (16.beta.)-
Database identifiers
- CAS
1247-42-3- PubChem CID
- 4063
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 795
Experimental & physicochemical properties
DrugsPharmaceuticals
Physicochemical properties
- Melting point
- 204 · 204-2060C
- alpha
- 200 ° · D +200° (dioxane)
- Boiling point
- 574.4 · 574.4±50.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 12.38 · 12.38±0.70(Predicted)
- form
- Solid
- color
- White
- InChIKey
- PIDANAQULIKBQS-RULBMMQNNA-N
- SMILES
- [C@@]12([H])C[C@H](C)[C@](O)(C(=O)CO)[C@@]1(C)CC(=O)[C@]1([H])[C@@]3(C)C=CC(=O)C=C3CC[C@@]21[H] |&1:0,3,5,11,16,18,28,r|
- FDA UNII
- 67 U96J8P35 · 67U96J8P35
- ATC code
- 2 AB15 · H02AB15
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2937290000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesCorticosteroid.
UsesBetapar(Meprednisone) is a glucocorticoid and a methylated derivative of prednisone. [1]The methylprednisone to MPL area under the curve ratio decreased from 0.19 +/- 0.04 in control to 0.14 +/- 0.03 in ketoconazole-treated rats (P less than .05) due to a
Upstream & downstream products
Upstream raw materials
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
Hebei shuoxi biotechnology co. LTD+8613081092107
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
上海钰源生物化学有限公司021-13814116 13814116708 · [email protected]
陕西林奈生物化工有限公司15327269642 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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