Androstan-17-aminium, N,N-dimethyl-N-ethyl-3-hydroxy-, bromide, (3-beta,5-alpha,17-beta)-
Basic information
- CAS
114967-77-0- Standard SMILES
CC[N+](C)(C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C.[Br-]- InChIKey
ZHQSUAMVBNOROL-JOLLAVNWSA-M- Molecular formula
- C23H42BrNO
- Average molar mass
- 428.5 g/mol
- Monoisotopic mass
- 427.24498
Names & identifiers
- Preferred name
- Androstan-17-aminium, N,N-dimethyl-N-ethyl-3-hydroxy-, bromide, (3-beta,5-alpha,17-beta)-
- IUPAC
- ethyl-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-dimethylazanium bromide
Names & synonyms
114967-77-0Androstan-17-aminium, N,N-dimethyl-N-ethyl-3-hydroxy-, bromide, (3-beta,5-alpha,17-beta)-RefChem:1076987N-(3-beta-Hydroxy-5-alpha-androstan-17-beta-yl)-N,N-dimethyl-N-ethylammonium bromideDTXSID00921564N-Ethyl-3-hydroxy-N,N-dimethylandrostan-17-aminium bromideN-Ethyl-3beta-hydroxy-N,N-dimethyl-5alpha-androstan-17beta-aminium bromide
Database identifiers
- CAS
114967-77-0- PubChem CID
- 3087516
- DTXSID
DTXSID00921564
Properties
Computed structural properties
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 516
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Compound notes
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