HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 157442276Generated: November 1, 2026
(4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-1,2,3,4,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7-one chloride
https://huagongshe.com/en/chemical/157442276
Identifiers & Physical Properties
| CAS No. | 124-90-3 |
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| Molecular formula | C18H22ClNO4 |
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| Average molar mass | 351.8 g/mol |
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| Monoisotopic mass | 351.1237359 g/mol |
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| SMILES | COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)[NH+](C)CC[C@]314.[Cl-] |
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| InChIKey | MUZQPDBAOYKNLO-RKXJKUSZSA-N |
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| PubChem CID | 157442276 |
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Chemical & Physical Properties
| Topological polar surface area | 60.2 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 5 |
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| Rotatable bonds | 1 |
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| Heavy atoms | 24 |
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| Formal charge | 0 |
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| Complexity | 553 |
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![(4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-1,2,3,4,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7-one chloride molecular structure](/img/chemical/157442276.png)