3alpha,17alpha-Bisdiethylamino-5alpha-androstane di(ethiodide)
Basic information
- CAS
66-36-4- Standard SMILES
CC[N+](CC)(CC)C1CC[C@@]2(C)C(CC[C@@H]3C2CC[C@@]2(C)C3CCC2[N+](CC)(CC)CC)C1.[I-].[I-]- InChIKey
DKVXSDORMFRGRX-YAFOLJSWSA-L- Molecular formula
- C31H60I2N2
- Average molar mass
- 714.6 g/mol
- Monoisotopic mass
- 714.2846
Names & identifiers
- Preferred name
- 3alpha,17alpha-Bisdiethylamino-5alpha-androstane di(ethiodide)
- IUPAC
- [(8R,10S,13S)-10,13-dimethyl-3-(triethylazaniumyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-triethylazanium diiodide
Names & synonyms
3alpha,17alpha-Bisdiethylamino-5alpha-androstane di(ethiodide)RefChem:106888166-36-4AMMONIUM, (5-alpha-ANDROSTAN-3-alpha,17-alpha-YLENE)BIS(TRIETHYL-, DIIODIDE3-alpha,17-alpha-Bisdiethylamino-5-alpha-androstane di(ethiodide)(5-alpha-Androstane-3-alpha,17-alpha-diyl)bis(triethylammonium iodide)3,17-Androstanediaminium, N,N,N,N',N',N'-hexaethyl-, diiodide, (3-alpha,5-alpha,17-alpha)-DTXSID00984472N~3~,N~3~,N~3~,N~17~,N~17~,N~17~-Hexaethylandrostane-3,17-bis(aminium) diiodide(9xi,14xi)-N~3~,N~3~,N~3~,N~17~,N~17~,N~17~-Hexaethylandrostane-3,17-bis(aminium) diiodide
Database identifiers
- CAS
66-36-4- PubChem CID
- 6187
- DTXSID
DTXSID00984472
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 647
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Compound notes
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