Basic information
- CAS
53224-68-3- Standard SMILES
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=NOc5ccccn5)CC[C@@]43C)[C@@H]1CC[C@@H]2O- InChIKey
DIXJUEUWJYXSHE-KFSGYFRFSA-N- Molecular formula
- C24H32N2O2
- Average molar mass
- 380.5 g/mol
- Monoisotopic mass
- 380.24637827
Names & identifiers
- Preferred name
- 17-beta-Hydroxyandrost-4-en-3-one O-(2-pyridyl)oxime
- IUPAC
- (8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-pyridin-2-yloxyimino-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-ol
- English name
- 17β-Hydroxyandrost-4-en-3-one O-(2-pyridyl)oxime
- Molecular formula
- C24H32N2O2
- Molecular weight
- 380.53
Names & synonyms
53224-68-317-beta-Hydroxyandrost-4-en-3-one O-(2-pyridyl)oximeBRN 1554262ANDROST-4-EN-3-ONE, 17-beta-HYDROXY-, O-(2-PYRIDYL)OXIME17β-Hydroxyandrost-4-en-3-one O-(2-pyridyl)oximeAndrost-4-en-3-one, 17-hydroxy-, O-2-pyridinyloxime, (17β)- (9CI)
Database identifiers
- CAS
53224-68-3- PubChem CID
- 40690
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 674
Physicochemical properties
- Boiling point
- 526.6 · 526.6±60.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 15.06 · 15.06±0.60(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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