Basic information
- CAS
50588-19-7- Standard SMILES
CC(=O)OCC[N+](C)(C)[C@@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@H]4[N+](C)(C)CCOC(C)=O)[C@@H]3CC[C@H]2C1.[Br-].[Br-]- InChIKey
OMPGSJGRWUKRAF-MKPSAHPLSA-L- Molecular formula
- C31H56Br2N2O4
- Average molar mass
- 680.6 g/mol
- Monoisotopic mass
- 678.26068
Names & identifiers
- Preferred name
- Ammonium, (5-alpha-androstan-3-beta,17-beta-ylene)bis(dimethyl(2-hydroxyethyl)-, dibromide, diacetate
- IUPAC
- 2-acetyloxyethyl-[(3R,5S,8R,10S,13S,17R)-3-[2-acetyloxyethyl(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 dibromide
Names & synonyms
50588-19-7Ammonium, (5-alpha-androstan-3-beta,17-beta-ylene)bis(dimethyl(2-hydroxyethyl)-, dibromide, diacetateRefChem:318940DTXSID60964816(9xi,14xi)-N~3~,N~17~-Bis[2-(acetyloxy)ethyl]-N~3~,N~3~,N~17~,N~17~-tetramethyl-5alpha-androstane-3alpha,17alpha-bis(aminium) dibromideN~3~,N~17~-Bis[2-(acetyloxy)ethyl]-N~3~,N~3~,N~17~,N~17~-tetramethylandrostane-3,17-bis(aminium) dibromide
Database identifiers
- CAS
50588-19-7- PubChem CID
- 39733
- DTXSID
DTXSID60964816
Properties
Computed structural properties
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 856
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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