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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:cinchocaine
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Accession:CHEBI:247956 term browser browse the term
Definition:A monocarboxylic acid amide that is the 2-(diethylamino)ethyl amide of 2-butoxyquinoline-4-carboxylic acid. One of the most potent and toxic of the long-acting local anesthetics, its parenteral use was restricted to spinal anesthesia. It is now generally only used (usually as the hydrochloride) in creams and ointments and in suppositories for temporary relief of pain and itching associated with skin and anorectal conditions.
Synonyms:exact_synonym: 2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide
 related_synonym: 2-Butoxy-quinoline-4-carboxylic acid (2-diethylamino-ethyl)-amide;   2-N-butoxy-N-(2-diethylaminoethyl)cinchoninamide;   2-butoxy-N-(2-(diethylamino)ethyl)cinchoninamide;   2-butoxy-N-(alpha-diethylaminoethyl)cinchoninamide;   2-butoxy-N-(beta-diethylaminoethyl)cinchoninamide;   2-butoxy-N-[2-(diethylamino)ethyl]-4-quinolinecarboxamide;   2-butoxyquinoline-4-carboxylic acid diethylaminoethylamide;   Dibucaine;   Formula=C20H29N3O2;   InChI=1S/C20H29N3O2/c1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,24);   InChIKey=PUFQVTATUTYEAL-UHFFFAOYSA-N;   N-(2-(diethylamino)ethyl)-2-butoxycinchoninamide;   SMILES=CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1;   alpha-butyloxycinchonic acid-gamma-diethylethylenediamine;   alpha-butyloxycinchoninic acid diethylethylenediamide;   cinchocainum;   cincocainio;   dibucaine base
 alt_id: CHEBI:4500
 xref: Beilstein:275489;   CAS:85-79-0;   DrugBank:DB00527;   Drug_Central:859;   HMDB:HMDB0014668;   KEGG:C07879;   KEGG:D00733;   LINCS:LSM-6018
 xref_mesh: MESH:D003992
 xref: PMID:23953476;   PMID:2873227;   Patent:US1825623;   Reaxys:275489;   Wikipedia:Dibucaine


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Term Annotations click to browse term
  CHEBI ontology 494
    role 501
      application 452
        NMR chemical shift reference compound 326
          ammonia 321
            organic amino compound 321
              tertiary amino compound 175
                cinchocaine 0
                  cinchocaine hydrochloride 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 494
    subatomic particle 494
      composite particle 494
        hadron 501
          baryon 494
            nucleon 494
              atomic nucleus 494
                atom 494
                  main group element atom 487
                    p-block element atom 487
                      carbon group element atom 476
                        carbon atom 482
                          organic molecular entity 475
                            heteroorganic entity 471
                              organochalcogen compound 425
                                organooxygen compound 423
                                  carbon oxoacid 364
                                    carboxylic acid 364
                                      carboacyl group 305
                                        univalent carboacyl group 305
                                          carbamoyl group 303
                                            carboxamide 306
                                              monocarboxylic acid amide 273
                                                cinchocaine 0
                                                  cinchocaine hydrochloride 0
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