Chemical Component Summary | |
|---|---|
| Name | N-methyl scopolamine |
| Synonyms | (1R,2R,4S,5S,7s)-7-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane |
| Identifiers | n/a |
| Formula | C18 H24 N O4 |
| Molecular Weight | 318.387 |
| Type | NON-POLYMER |
| Isomeric SMILES | C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)c4ccccc4)C |
| InChI | InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1/t12-,13-,14-,15+,16-,17+/m1/s1 |
| InChIKey | LZCOQTDXKCNBEE-IKIFYQGPSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 1 |
| Atom Count | 47 |
| Chiral Atom Count | 5 |
| Bond Count | 50 |
| Aromatic Bond Count | 6 |
Drug Info: DrugBank
| DrugBank ID | DB11315 |
|---|---|
| Name | Methscopolamine |
| Groups | approved |
| Description | Methscopolamine is a quaternary ammonium derivative of scopolamine and antagonist at muscarininc (mACh) receptors. Methscopolamine bromide is the most common form of the active ingredient in oral pharmaceutical products. The oral tablets are used as an adjunct therapy for the treatment of peptic ulcer and is shown to be effective in decreasing the rate of recurrence of peptic ulcers as well as preventing complications. |
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| ATC-Code |
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| CAS number | 13265-10-6 |
Related Resource References
| Resource Name | Reference |
|---|---|
| CCDC/CSD | DUTNIP10, KEYWEQ, XACNAQ |
