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Cocaine

CHEBI:CHEBI_27958

Definition

A tropane alkaloid obtained from leaves of the South American shrub Erythroxylon coca.

Chemical Information

Molecular Formula
C17H21NO4
Molecular Mass
303.35290
Charge
0
SMILES
[H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)N2C
InChI
InChI=1S/C17H21NO4/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/t12-,13+,14-,15+/m0/s1
InChIKey
ZPUCINDJVBIVPJ-LJISPDSOSA-N

Alternative Names

  • (-)-cocaine
  • (1R,2R,3S,5S)-2-(methoxycarbonyl)tropan-3-yl benzoate
  • [1R-(exo,exo)]-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid, methyl ester
  • 2-methyl-3beta-hydroxy-1alphaH,5alphaH-tropane-2beta-carboxylate benzoate (ester)
  • Benzoylmethylecgonine
  • beta-Cocain
  • Cocain
  • Cocaina
  • Cocaine
  • COCAINE
  • cocainum
  • Kokain
  • l-Cocain
  • l-cocaine
  • methyl (1R,2R,3S,5S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
  • methyl [1R-(exo,exo)]-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
  • methyl benzoylecgonine
  • Neurocaine

Drug Classification

Important Medical Information

⚕️ This information is sourced from ChEBI (Chemical Entities of Biological Interest) database and is intended for educational purposes only.

  • Always consult with a healthcare professional before starting, stopping, or modifying any medication.
  • Side effects may vary and this list may not be comprehensive.
  • Drug interactions may occur with other medications.

Additional Identifiers

DRON_00010000
2653
oboInOwl#hasDbXref
Wikipedia:Cocaine
core#notation
CHEBI:27958

Additional References

Wikipedia:Cocaine

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Additional Attributes

oboInOwl#hasOBONamespace
chebi_ontology
DRON_00010000
2653
oboInOwl#hasDbXref
Wikipedia:Cocaine
oboInOwl#hasAlternativeId
CHEBI:41642
oboInOwl#id
CHEBI:27958
core#notation
CHEBI:27958
RO_0000087
http://purl.obolibrary.org/obo/CHEBI_38633
oboInOwl#inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
BFO_0000053
http://purl.obolibrary.org/obo/DRON_00723854
chebi#is_conjugate_base_of
http://purl.obolibrary.org/obo/CHEBI_60056
22-rdf-syntax-ns#type
http://www.w3.org/2002/07/owl#Class
rdf-schema#domain
https://w3id.org/def/predibionto#has_side_effect14059
chebi#is_conjugate_acid_of
http://purl.obolibrary.org/obo/CHEBI_60056
owl#annotatedSource
t162781
owl#someValuesFrom
t2884001