Cortisone sulfate
Basic information
- CAS
912-25-4- Standard SMILES
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COS(=O)(=O)O- InChIKey
IWIJFUQFXLWZIA-ZPOLXVRWSA-N- Molecular formula
- C21H28O8S
- Average molar mass
- 440.5 g/mol
- Monoisotopic mass
- 440.15048902
Overview
RN given refers to unlabeled parent cpd
Names & identifiers
- Preferred name
- Cortisone sulfate
- IUPAC
- [2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] hydrogen sulfate
- English name
- cortisone sulfate
- Molecular weight
- 0
Names & synonyms
Cortisone sulfate912-25-417-Hydroxy-21-(sulfooxy)pregn-4-ene-3,11,20-trioneRefChem:1280982-((8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl hydrogen sulfateSCHEMBL1899164DTXSID7091989217-hydroxy-3,11,20-trioxopregn-4-en-21-yl hydrogen sulfate4-pregnen-17,21-diol-3,11,20-trione-21-sulfate
Database identifiers
- CAS
912-25-4- PubChem CID
- 193322
- DTXSID
DTXSID70919892- Nikkaji
- J697.387F
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 947
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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