Basic information
- CAS
66-50-2- Standard SMILES
CC[N+](C)(CC)[C@@H]1CC[C@@]2(C)C(CC[C@@H]3C2CC[C@@]2(C)C3CC[C@H]2[N+](C)(CC)CC)C1.[I-].[I-]- InChIKey
HQYJGSBDTMCORH-UVLJULLJSA-L- Molecular formula
- C29H56I2N2
- Average molar mass
- 686.6 g/mol
- Monoisotopic mass
- 686.25329
Names & identifiers
- Preferred name
- 3alpha,17alpha-Bisdiethylamino-5alpha-androstane di(methiodide)
- IUPAC
- [(3R,8R,10S,13S,17R)-3-[diethyl(methyl)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]-diethyl-methylazanium diiodide
Names & synonyms
66-50-23alpha,17alpha-Bisdiethylamino-5alpha-androstane di(methiodide)RefChem:1068882AMMONIUM, (5-alpha-ANDROSTAN-3-alpha,17-alpha-YLENE)BIS(DIETHYLMETHYL-, DIIODIDEDTXSID609844733-alpha,17-alpha-Bisdiethylamino-5-alpha-androstane di(methiodide)(5-alpha-Androstane-3-alpha,17-alpha-diyl)bis(diethylmethylammonium iodide)(9xi,14xi)-N~3~,N~3~,N~17~,N~17~-Tetraethyl-N~3~,N~17~-dimethylandrostane-3alpha,17alpha-bis(aminium) diiodideN~3~,N~3~,N~17~,N~17~-Tetraethyl-N~3~,N~17~-dimethylandrostane-3,17-bis(aminium) diiodide
Database identifiers
- CAS
66-50-2- PubChem CID
- 6189
- DTXSID
DTXSID60984473
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 635
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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