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CHEBI:613010 - cocaine hydrochloride
| Formula | C17H22NO4.Cl |
| Net Charge | 0 |
| Average Mass | 339.819 |
| Monoisotopic Mass | 339.12374 |
| SMILES | [Cl-].[H][C@]12CC[C@]([H])([C@@H](C(=O)OC)[C@@H](OC(=O)c3ccccc3)C1)[NH+]2C |
| InChI | InChI=1S/C17H21NO4.ClH/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11;/h3-7,12-15H,8-10H2,1-2H3;1H/t12-,13+,14-,15+;/m0./s1 |
| InChIKey | PIQVDUKEQYOJNR-VZXSFKIWSA-N |
| Roles Classification |
|---|
| Applications: | central nervous system stimulant Any drug that enhances the activity of the central nervous system. local anaesthetic Any member of a group of drugs that reversibly inhibit the propagation of signals along nerves. Wide variations in potency, stability, toxicity, water-solubility and duration of action determine the route used for administration, e.g. topical, intravenous, epidural or spinal block. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| cocaine hydrochloride (CHEBI:613010) has part cocaine(1+) (CHEBI:60056) |
| cocaine hydrochloride (CHEBI:613010) has role central nervous system stimulant (CHEBI:35337) |
| cocaine hydrochloride (CHEBI:613010) has role local anaesthetic (CHEBI:36333) |
| cocaine hydrochloride (CHEBI:613010) is a hydrochloride (CHEBI:36807) |
| IUPAC Name |
|---|
| (1R,2R,3S,5S)-3-(benzoyloxy)-2-(methoxycarbonyl)-8-methyl-8-azoniabicyclo[3.2.1]octane chloride |
| Synonyms | Source |
|---|---|
| Cocain-chlorhydrat | ChemIDplus |
| Cocaine chloride | ChemIDplus |
| Cocaine muriate | ChemIDplus |
| l-Cocaine hydrochloride | ChemIDplus |
| Cocaine HCl | ChemIDplus |