N~3~,N~17~-Diethyl-N~3~,N~3~,N~17~,N~17~-tetramethylandrostane-3,17-bis(aminium) diiodide
Basic information
- CAS
72-60-6- Standard SMILES
CC[N+](C)(C)[C@@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@H]4[N+](C)(C)CC)[C@@H]3CC[C@H]2C1.[I-].[I-]- InChIKey
KZYCULBPHGRLMB-XOTIDMPHSA-L- Molecular formula
- C27H52I2N2
- Average molar mass
- 658.5 g/mol
- Monoisotopic mass
- 658.22199
Names & identifiers
- Preferred name
- N~3~,N~17~-Diethyl-N~3~,N~3~,N~17~,N~17~-tetramethylandrostane-3,17-bis(aminium) diiodide
- IUPAC
- ethyl-[(3R,5S,8R,10S,13S,17R)-3-[ethyl(dimethyl)azaniumyl]-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 diiodide
Names & synonyms
DTXSID70992685(9xi,14xi)-N~3~,N~17~-Diethyl-N~3~,N~3~,N~17~,N~17~-tetramethyl-5alpha-androstane-3alpha,17alpha-bis(aminium) diiodideN~3~,N~17~-Diethyl-N~3~,N~3~,N~17~,N~17~-tetramethylandrostane-3,17-bis(aminium) diiodide
Database identifiers
- CAS
72-60-6- PubChem CID
- 6298
- DTXSID
DTXSID70992685
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 610
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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