Discuss This Drug

cocaine(1+)

CHEBI:CHEBI_60056

Definition

The conjugate base of cocaine arising from protonation of the tertiary amino group; major species at pH 7.3.

Chemical Information

Molecular Formula
C17H22NO4
Molecular Mass
304.36090
Charge
+1
SMILES
[H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)[NH+]2C
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/p+1/t12-,13+,14-,15+/m0/s1
InChIKey
ZPUCINDJVBIVPJ-LJISPDSOSA-O

Alternative Names

  • cocaine
  • (1R,2R,3S,5S)-3-(benzoyloxy)-2-(methoxycarbonyl)-8-methyl-8-azoniabicyclo[3.2.1]octane
  • cocaine cation

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

core#notation
CHEBI:60056
oboInOwl#hasDbXref
Gmelin:341636

Additional References

🔍 Click on any linked disease name to learn more about the conditions this medication is used to treat, or explore related drug classifications for more information about similar medications.

Additional Attributes

chebi#is_conjugate_base_of
http://purl.obolibrary.org/obo/CHEBI_27958
owl#someValuesFrom
t162047
owl#annotatedSource
t255768
oboInOwl#hasOBONamespace
chebi_ontology
oboInOwl#id
CHEBI:60056
core#notation
CHEBI:60056
oboInOwl#hasDbXref
Gmelin:341636
oboInOwl#inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
chebi#is_conjugate_acid_of
http://purl.obolibrary.org/obo/CHEBI_27958
RO_0000087
http://purl.obolibrary.org/obo/CHEBI_77746
22-rdf-syntax-ns#type
http://www.w3.org/2002/07/owl#Class