RefChem:317870
(9R,10S,13S,14R,16S,18R)-13-ethyl-15-[2-hydroxy-3-(3-methylphenoxy)propyl]-8-methyl-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol
Also Known As: (17R,21-alpha)-17,21-Dihydroxy-4-(2-hydroxy-3-(m-methylphenoxy)propyl)ajmalanium|Ajmalanium, 17,21-dihydroxy-4-(2-hydroxy-3-(m-methylphenoxy)propyl)-, (17R,21-alpha)-
| Molecular Formula | C30H39N2O4+ |
|---|---|
| Molecular Weight | 491.291 g/mol |
| LogP | 2.81762 |
| Topological Polar Surface Area | 73.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 491.291 |
| Monoisotopic Mass | 491.291 |
| Heavy Atoms | 36 |
| Complexity | 1189.0438 |
Chemical Identifiers
| CAS Number | 58892-94-7 |
|---|---|
| SMILES | CC[C@@H]1[C@H]([N+]2([C@H]3CC1C4[C@@H]2CC5([C@H]3N(C6=CC=CC=C65)C)[C@@H]4O)CC(COC7=CC=CC(=C7)C)O)O |
Product Overview
RefChem:317870 (CAS 58892-94-7), with molecular formula C30H39N2O4+ and molecular weight 491.291 g/mol. IUPAC: (9R,10S,13S,14R,16S,18R)-13-ethyl-15-[2-hydroxy-3-(3-methylphenoxy)propyl]-8-methyl-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol.
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