Basic information
- Standard SMILES
CC(=O)OCC(=O)C1(O)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3=CCC21C- InChIKey
AAPZMQVULRVUEU-UHFFFAOYSA-N- Molecular formula
- C24H30O5
- Average molar mass
- 398.5 g/mol
- Monoisotopic mass
- 398.20932405
Names & identifiers
- Preferred name
- 21-(Acetyloxy)-17-hydroxy-16b-methyl-pregna-1,4,9(11)-triene-3,20-dione
- IUPAC
- [2-(17-hydroxy-10,13,16-trimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate
Names & synonyms
21-(Acetyloxy)-17-hydroxy-16b-methyl-pregna-1,4,9(11)-triene-3,20-dione17-alpha,21-Dihydroxy-16-alpha-methylpregna-1,4,9(11)-triene-3,20-dione 21-acetateMFCD16876083Dexamethasone EP Impurity B Hydrochloride[2-(17-hydroxy-10,13,16-trimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl] acetate
Database identifiers
- PubChem CID
- 3744482
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 880
Related reactions
3 records
Compound notes
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