Veratridine, hydrochloride
[(1R,2S,6S,9S,10R,11S,12S,14R,15S,18S,19S,22S,23S,25R)-1,10,11,12,14,23-hexahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] 3,4-dimethoxybenzoate;hydrochloride
Also Known As: Veratridine, hydrochloride|(3beta,4beta,16beta)-4,12,14,16,17,20-Hexahydroxy-4,9-epoxycevan-3-yl 3,4-dimethoxybenzoate hydrochloride (1:1)|4alpha,12,14,16beta,17,20-Hexahydroxy-4,9-epoxycevan-3beta-yl 3,4-dimethoxybenzoate--hydrogen chloride (1/1)
| Molecular Formula | C36H52ClNO11 |
|---|---|
| Molecular Weight | 709.3229 g/mol |
| LogP | 1.78 |
| Topological Polar Surface Area | 178.61 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 709.3229 |
| Heavy Atoms | 49 |
| Complexity | 1529.3 |
Chemical Identifiers
| CAS Number | 11076-62-3 |
|---|---|
| SMILES | C[C@H]1CC[C@H]2[C@@]([C@]3([C@H](C[C@]4([C@@H]5CC[C@H]6[C@]7([C@]5(C[C@]4([C@@H]3CN2C1)O)O[C@@]6([C@H](CC7)OC(=O)C8=CC(=C(C=C8)OC)OC)O)C)O)O)O)(C)O.Cl |
Product Overview
Veratridine, hydrochloride (CAS 11076-62-3), with molecular formula C36H52ClNO11 and molecular weight 709.3229 g/mol. IUPAC: [(1R,2S,6S,9S,10R,11S,12S,14R,15S,18S,19S,22S,23S,25R)-1,10,11,12,14,23-hexahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] 3,4-dimethoxybenzoate;hydrochloride.
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