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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 19823
    role 19773
      application 19486
        pharmaceutical 19335
          drug 19335
            central nervous system drug 16524
              central nervous system stimulant 6863
                cocaine hydrochloride 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19823
    subatomic particle 19821
      composite particle 19821
        hadron 19821
          baryon 19821
            nucleon 19821
              atomic nucleus 19821
                atom 19821
                  main group element atom 19720
                    p-block element atom 19720
                      carbon group element atom 19643
                        carbon atom 19633
                          organic molecular entity 19633
                            organic molecule 19572
                              organic cyclic compound 19366
                                organic heterocyclic compound 18604
                                  organic heteropolycyclic compound 18067
                                    organic heterobicyclic compound 16872
                                      azabicycloalkane 2045
                                        tropane alkaloid 1564
                                          cocaine(1+) 0
                                            cocaine hydrochloride 0
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