Basic information
- CAS
33913-68-7- Standard SMILES
C[C@]12CCC3C(CC[C@H]4C[C@@H]([N+]5(C)CCCC5)CC[C@]34C)C1CC[C@@H]2O.[I-]- InChIKey
XDYANORGAUIFLP-YGFOHXMGSA-M- Molecular formula
- C24H42INO
- Average molar mass
- 487.5 g/mol
- Monoisotopic mass
- 487.23111
Names & identifiers
- Preferred name
- 1-(17beta-Hydroxy-5alpha-androstan-3beta-yl)-1-methylpyrrolidinium iodide
- IUPAC
- (3S,5S,10S,13S,17S)-10,13-dimethyl-3-(1-methylpyrrolidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-ol iodide
Names & synonyms
33913-68-71-(17beta-Hydroxy-5alpha-androstan-3beta-yl)-1-methylpyrrolidinium iodideDTXSID20955508Pyrrolidinium, 1-(17beta-hydroxy-5alpha-androstan-3beta-yl)-1-methyl-, iodide3-(1-Methylpyrrolidin-1-ium-1-yl)androstan-17-ol iodide(8xi,9xi,14xi)-3beta-(1-Methylpyrrolidin-1-ium-1-yl)-5alpha-androstan-17beta-ol iodide
Database identifiers
- CAS
33913-68-7- PubChem CID
- 147553
- DTXSID
DTXSID20955508
Properties
Computed structural properties
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 554
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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