Basic information
- CAS
52-72-2- Standard SMILES
C[C@]12C[C@H](N3CCOCC3)[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12- InChIKey
KFWLDVAUZFLXMB-UZBJCSTBSA-N- Molecular formula
- C23H37NO3
- Average molar mass
- 375.5 g/mol
- Monoisotopic mass
- 375.27734404
Names & identifiers
- Preferred name
- 3-Hydroxy-2-(morpholin-4-yl)androstan-17-one
- IUPAC
- (2S,3S,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-2-morpholin-4-yl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
Names & synonyms
52-72-2DTXSID509663243-Hydroxy-2-(morpholin-4-yl)androstan-17-oneRefChem:1067937DTXCID801393963BRN 15979893-alpha-Hydroxy-2-beta-morpholino-5-alpha-androstan-17-oneRocuronium Bromide Impurity 35Rocuronium Impurity 365-alpha-ANDROSTAN-17-ONE, 3-alpha-HYDROXY-2-beta-MORPHOLINO-Androstan-17-one, 3-hydroxy-2-(4-morpholinyl)-, (2-beta,3-alpha,5-alpha)-AT55693
Show more names
3alpha-Hydroxy-2beta-(morpholin-4-yl)-5alpha-androstan-17-one3Alpha-HYDROXY-2Beta-(4-MORPHOLINYL)-5Alpha(H)-ANDROSTAN-17-ONE(2S,3S,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-2-morpholinotetradecahydro-1H-cyclopenta[a]phenanthren-17(2H)-one
Database identifiers
- CAS
52-72-2- PubChem CID
- 5854
- DTXSID
DTXSID50966324- Nikkaji
- J2.343.143B
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 602
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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