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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

🔍 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

rxcui
2272608
marketing_category
BULK INGREDIENT FOR HUMAN PRESCRIPTION COMPOUNDING
listing_expiration_date
20241231
route
NASAL
active_ingredient_strength
1 kg/kg
marketing_start_date
20131219
package_marketing_start_date
12-NOV-20
labeler_name
LXO US INC.
manufacturer_name
LXO US INC.
application_number
NDA209575
spl_id
1897960d-85ef-3daf-e063-6294a90a604a
active_ingredient_name
COCAINE HYDROCHLORIDE
package_ndc
51927-9011-0
package_description
1 kg in 1 CONTAINER (51927-9011-0)
unii
XH8T8T6WZH
spl_set_id
d724b5b4-6654-4bf5-9eed-e2c7943084ed
oboInOwl#hasOBONamespace
chebi_ontology
DRON_00010000
2653
oboInOwl#hasDbXref
Wikipedia:Cocaine
oboInOwl#hasAlternativeId
CHEBI:41642
oboInOwl#id
CHEBI:27958
product_type
BULK INGREDIENT
dosage_form
SOLUTION
generic_name
Cocaine Hydrochloride
brand_name
NUMBRINO
brand_name_base
NUMBRINO
product_ndc
51927-9011
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
core#notation
CHEBI:27958
dea_schedule
CII
upc
0381665300026
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