CHEBI:613010 - cocaine hydrochloride

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ChEBI Name cocaine hydrochloride
Definition The hydrochloride salt of cocaine. It is a local anesthetic and vasoconstrictor and is clinically used for that purpose, particularly in the eye, ear, nose, and throat. It also has powerful central nervous system effects similar to the amphetamines and is a drug of abuse.
Stars This entity has been manually annotated by the ChEBI Team.
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Formulae C17H21NO4.HCl
Net Charge 0
Average Mass 339.81400
Monoisotopic Mass 339.12374
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
SMILES [Cl-].[H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)[NH+]2C
Roles Classification
Application(s): 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.
central nervous system stimulant
Any drug that enhances the activity of the central nervous system.
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ChEBI Ontology
Outgoing 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)
(1R,2R,3S,5S)-3-(benzoyloxy)-2-(methoxycarbonyl)-8-methyl-8-azoniabicyclo[3.2.1]octane chloride
Synonyms Sources
Cocain-chlorhydrat ChemIDplus
Cocaine chloride ChemIDplus
Cocaine HCl ChemIDplus
Cocaine muriate ChemIDplus
l-Cocaine hydrochloride ChemIDplus
Manual Xrefs Databases
DB00907 DrugBank
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Registry Numbers Types Sources
188889 Gmelin Registry Number Gmelin
4302866 Beilstein Registry Number Beilstein
53-21-4 CAS Registry Number KEGG DRUG
53-21-4 CAS Registry Number ChemIDplus
Last Modified
13 August 2010