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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 19831
    role 19807
      application 19650
        pharmaceutical 19491
          drug 19491
            central nervous system drug 16778
              central nervous system stimulant 8524
                cocaine hydrochloride 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19831
    subatomic particle 19829
      composite particle 19829
        hadron 19829
          baryon 19829
            nucleon 19829
              atomic nucleus 19829
                atom 19829
                  main group element atom 19779
                    p-block element atom 19779
                      carbon group element atom 19728
                        carbon atom 19724
                          organic molecular entity 19724
                            organic molecule 19677
                              organic cyclic compound 19490
                                organic heterocyclic compound 18852
                                  organic heteropolycyclic compound 18295
                                    organic heterobicyclic compound 17240
                                      azabicycloalkane 3470
                                        tropane alkaloid 1575
                                          cocaine(1+) 0
                                            cocaine hydrochloride 0
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