Bis(monochloroacetyl)ajmaline
[(9R,10S,13S,14R,16S,18R)-14-(2-chloroacetyl)oxy-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-trien-18-yl] 2-chloroacetate;hydrochloride
Also Known As: DCAA|Bis(monochloroacetyl)ajmaline|Dimonocloroacetilajmalina cloridrato|KST-1A5916|Dimonochloroacetylajmaline hydrochloride|Dimonocloroacetilajmalina cloridrato [Italian]|Ajmaline, bis(chloroacetate) (ester), hydrochloride|(16xi,17r,21|A)-ajmalan-17,21-diyl bis(chloroacetate) hydrochloride(1:1)
| Molecular Formula | C24H29Cl3N2O4 |
|---|---|
| Molecular Weight | 514.11926 g/mol |
| LogP | 3.5557 |
| Topological Polar Surface Area | 59.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 514.11926 |
| Monoisotopic Mass | 514.11926 |
| Heavy Atoms | 33 |
| Complexity | 813.0 |
Chemical Identifiers
| CAS Number | 5465-41-8 |
|---|---|
| SMILES | CC[C@@H]1[C@H](N2[C@H]3CC1C4[C@@H]2CC5([C@H]3N(C6=CC=CC=C65)C)[C@@H]4OC(=O)CCl)OC(=O)CCl.Cl |
| InChIKey | UWIVMLUBHUNIBC-MJSUFJGSSA-N |
Product Overview
Bis(monochloroacetyl)ajmaline (CAS 5465-41-8), with molecular formula C24H29Cl3N2O4 and molecular weight 514.11926 g/mol. IUPAC: [(9R,10S,13S,14R,16S,18R)-14-(2-chloroacetyl)oxy-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-trien-18-yl] 2-chloroacetate;hydrochloride.
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