Basic information
- CAS
66-64-8- Standard SMILES
C[C@]12CCC3[C@@H](CC[C@H]4C[C@H]([N+](C)(C)C)CC[C@]34C)C1CC[C@H]2[N+](C)(C)C.[I-].[I-]- InChIKey
ZVIZSIIUKWNKPJ-VGFHXRMQSA-L- Molecular formula
- C25H48I2N2
- Average molar mass
- 630.5 g/mol
- Monoisotopic mass
- 630.19069
Names & identifiers
- Preferred name
- N~3~,N~3~,N~3~,N~17~,N~17~,N~17~-Hexamethylandrostane-3,17-bis(aminium) diiodide
- IUPAC
- [(3R,5S,8R,10S,13S,17R)-10,13-dimethyl-3-(trimethylazaniumyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-trimethylazanium diiodide
Names & synonyms
DTXSID80984475N~3~,N~3~,N~3~,N~17~,N~17~,N~17~-Hexamethylandrostane-3,17-bis(aminium) diiodide(9xi,14xi)-N~3~,N~3~,N~3~,N~17~,N~17~,N~17~-Hexamethyl-5alpha-androstane-3alpha,17alpha-bis(aminium) diiodide
Database identifiers
- CAS
66-64-8- PubChem CID
- 6192
- DTXSID
DTXSID80984475
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 570
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…