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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:cocaine hydrochloride
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Accession:CHEBI:613010 term browser browse the term
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.
Synonyms:exact_synonym: (1R,2R,3S,5S)-3-(benzoyloxy)-2-(methoxycarbonyl)-8-methyl-8-azoniabicyclo[3.2.1]octane chloride
 related_synonym: Cocain-chlorhydrat;   Cocaine HCl;   Cocaine chloride;   Cocaine muriate;   Formula=C17H21NO4.HCl;   Formula=C17H22ClNO4;   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;   SMILES=[Cl-].[H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)[NH+]2C;   l-Cocaine hydrochloride
 xref: Beilstein:4302866;   CAS:53-21-4;   DrugBank:DB00907;   Gmelin:188889;   KEGG:D02182


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Path 1
Term Annotations click to browse term
  CHEBI ontology 5081
    role 5046
      application 876
        pharmaceutical 726
          drug 726
            central nervous system drug 164
              central nervous system stimulant 2
                cocaine hydrochloride 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5081
    subatomic particle 5072
      composite particle 5072
        hadron 5072
          baryon 5072
            nucleon 5072
              atomic nucleus 5072
                atom 5072
                  main group element atom 5042
                    p-block element atom 5039
                      carbon group element atom 4957
                        carbon atom 4956
                          organic molecular entity 4956
                            organic molecule 4903
                              organic cyclic compound 4841
                                organic heterocyclic compound 4629
                                  organic heteropolycyclic compound 4427
                                    organic heterobicyclic compound 141
                                      azabicycloalkane 1
                                        tropane alkaloid 1
                                          cocaine(1+) 0
                                            cocaine hydrochloride 0
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