3,17-Dipyrrolidin-1'-yl-5-delta(9,11)-androstene dimethiodide
Basic information
- CAS
79868-89-6- Standard SMILES
C[C@]12CC=C3[C@@H](CC[C@@H]4C[C@H]([N+]5(C)CCCC5)CC[C@]34C)[C@@H]1CC[C@@H]2[N+]1(C)CCCC1.[I-].[I-]- InChIKey
HNWZERWXVHYEQG-PTQRBVSASA-L- Molecular formula
- C29H50I2N2
- Average molar mass
- 680.5 g/mol
- Monoisotopic mass
- 680.20634
Names & identifiers
- Preferred name
- 3,17-Dipyrrolidin-1'-yl-5-delta(9,11)-androstene dimethiodide
- IUPAC
- 1-[(3R,5R,8S,10S,13S,14S,17S)-10,13-dimethyl-3-(1-methylpyrrolidin-1-ium-1-yl)-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1-methylpyrrolidin-1-ium diiodide
- English name
- 3,17-dipyrrolidin-1'-yl-5-delta(9,11)-androstene dimethiodide
- Molecular formula
- C29H50I2N2
- Molecular weight
- 680.52964
Names & synonyms
3,5,17-Dipyrandenium79868-89-63,17-Dipyrrolidin-1'-yl-5-delta(9,11)-androstene dimethiodidePyrrolidinium, 1,1'-((3alpha,5beta,17beta)-androst-9(11)-ene-3,17-diyl)bis(1-methyl)-, diiodideRefChem:906013 alpha,5 beta,17 beta-dipyrandenium3 alpha,17 beta-dipyrrolidin-1'-yl-5 beta-delta(9,11)-androstene dimethiodide3alpha,5beta,17beta-DipyrandeniumDTXSID0010008073alpha,17beta-Dipyrrolidin-1'-yl-5beta-delta(9,11)-androstene dimethiodide3,17-Bis(1-methylpyrrolidin-1-ium-1-yl)androst-9(11)-ene diiodide3alpha,17beta-Bis(1-methylpyrrolidin-1-ium-1-yl)-5beta-androst-9(11)-ene diiodide
Database identifiers
- CAS
79868-89-6- PubChem CID
- 196140
- DTXSID
DTXSID001000807
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 742
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