loading...| Preferred Name |
cocaine hydrochloride |
|
| Synonyms |
(1R,2R,3S,5S)-3-(benzoyloxy)-2-(methoxycarbonyl)-8-methyl-8-azoniabicyclo[3.2.1]octane chloride Cocaine muriate Cocaine HCl Cocaine chloride Cocain-chlorhydrat l-Cocaine hydrochloride |
|
| Definitions |
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. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_613010 |
|
| charge |
0 |
|
| database_cross_reference |
DrugBank:DB00907 Beilstein:4302866 Gmelin:188889 CAS:53-21-4 KEGG:D02182 |
|
| 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. |
|
| formula |
C17H22ClNO4 C17H21NO4.HCl |
|
| has part | ||
| has role | ||
| has_exact_synonym |
(1R,2R,3S,5S)-3-(benzoyloxy)-2-(methoxycarbonyl)-8-methyl-8-azoniabicyclo[3.2.1]octane chloride |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
Cocaine muriate Cocaine HCl Cocaine chloride Cocain-chlorhydrat l-Cocaine hydrochloride |
|
| id |
CHEBI:613010 |
|
| in_subset | ||
| 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 |
|
| label |
cocaine hydrochloride |
|
| mass |
339.81400 |
|
| monoisotopicmass |
339.12374 |
|
| notation |
CHEBI:613010 |
|
| prefLabel |
cocaine hydrochloride |
|
| smiles |
[Cl-].[H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)[NH+]2C |
|
| treeView | ||
| subClassOf |