Basic information
- Standard SMILES
C[C@]12C[C@H](N3CCC(=O)CC3)[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)[C@@H](N3CCCC3)C[C@@H]12- InChIKey
ITCGMADCQUSMTA-PSOIPNJASA-N- Molecular formula
- C28H46N2O3
- Average molar mass
- 458.7 g/mol
Names & identifiers
- Preferred name
- 2beta-(4-Oxo-1-piperidinyl)-16beta-(1-pyrrolidinyl)-5alpha-androstane-3alpha,17beta-diol
- IUPAC
- 1-[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3,17-dihydroxy-10,13-dimethyl-16-pyrrolidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-2-yl]piperidin-4-one
Names & synonyms
SCHEMBL8760422ITCGMADCQUSMTA-PSOIPNJASA-N2beta-(4-oxo-1-piperidinyl)-16beta-(1-pyrrolidinyl)-5alpha-androstane-3alpha,17beta-diol
Database identifiers
- PubChem CID
- 67684261
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 64 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 758
Related reactions
1 records
Compound notes
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