RefChem:1065499
[(2S,3S,5S,10S,13S,16S,17R)-3,16-diacetyloxy-10,13-dimethyl-2-(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-trimethylazanium diiodide
Also Known As: Piperidinium, 1-(3-alpha,16-beta-dihydroxy-17-beta-(trimethylammonio)-5-alpha-androstan-2-beta-yl)-1-methyl-, diiodide, diacetate|3,16-Bis(acetyloxy)-N,N,N-trimethyl-2-(1-methylpiperidin-1-ium-1-yl)androstan-17-aminium diiodide|(8xi,9xi,14xi)-3alpha,16beta-Bis(acetyloxy)-N,N,N-trimethyl-2beta-(1-methylpiperidin-1-ium-1-yl)-5alpha-androstan-17beta-aminium diiodide|[(2S,3S,5S,10S,13S,16S,17R)-3,16-diacetyloxy-10,13-dimethyl-2-(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-trimethylazanium diiodide
| Molecular Formula | C32H56I2N2O4 |
|---|---|
| Molecular Weight | 786.233 g/mol |
| LogP | -0.8058 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 786.233 |
| Monoisotopic Mass | 786.233 |
| Heavy Atoms | 40 |
| Complexity | 934.36646 |
Chemical Identifiers
| CAS Number | 50865-29-7 |
|---|---|
| SMILES | CC(=O)O[C@H]1C[C@@H]2CCC3C([C@]2(C[C@@H]1[N+]4(CCCCC4)C)C)CC[C@]5(C3C[C@@H]([C@@H]5[N+](C)(C)C)OC(=O)C)C.[I-].[I-] |
Product Overview
RefChem:1065499 (CAS 50865-29-7), with molecular formula C32H56I2N2O4 and molecular weight 786.233 g/mol. IUPAC: [(2S,3S,5S,10S,13S,16S,17R)-3,16-diacetyloxy-10,13-dimethyl-2-(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-trimethylazanium diiodide.