Basic information
- Standard SMILES
CS(=O)(=O)O.C[C@]12CC[C@@H](O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)CN4CCOCC4)[C@@]3(C)CC(=O)[C@@H]12- InChIKey
LZHGJBLVDJOLOX-DKCCRGIHSA-N- Molecular formula
- C26H43NO7S
- Average molar mass
- 513.7 g/mol
- Monoisotopic mass
- 513.27602388
Names & identifiers
- Preferred name
- 3alpha-Hydroxy-21-morpholino-5alpha-pregnane-11,20-dione mesylate
- IUPAC
- (3R,5S,8S,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-17-(2-morpholin-4-ylacetyl)-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one;methanesulfonic acid
Names & synonyms
LZHGJBLVDJOLOX-DKCCRGIHSA-N3alpha-Hydroxy-21-morpholino-5alpha-pregnane-11,20-dione mesylate
Database identifiers
- PubChem CID
- 86734026
Properties
Computed structural properties
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 796
Related reactions
1 records
Compound notes
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