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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:bupivacaine hydrochloride hydrate
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Accession:CHEBI:60789 term browser browse the term
Definition:A racemate composed of equimolar amounts of dextrobupivacaine hydrochloride hydrate and levobupivacaine hydrochloride hydrate. A piperidinecarboxamide-based local anaesthetic, it has a slow onset and long duration of action.
Synonyms:exact_synonym: rac-1-butyl-2-[(2,6-dimethylphenyl)carbamoyl]piperidinium chloride--water (1/1);   rac-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide hydrochloride--water (1/1)
 related_synonym: 1-butyl-2',6'-pipecoloxylidide monohydrochloride monohydrate;   1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide hydrochloride hydrate;   Formula=C18H31ClN2O2;   InChI=1S/C18H28N2O.ClH.H2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3;;/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21);1H;1H2;   InChIKey=HUCIWBPMHXGLFM-UHFFFAOYSA-N;   Marcaine;   SMILES=O.Cl.CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C;   bupivacaine hydrochloride;   bupivacaine hydrochloride monohydrate;   bupivacaine monohydrochloride monohydrate
 xref: CAS:73360-54-0;   DrugBank:DB00297;   KEGG:D01450;   Reaxys:13856665


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19792
    chemical entity 19791
      chemical substance 11945
        mixture 10866
          racemate 9761
            bupivacaine hydrochloride hydrate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19792
    subatomic particle 19788
      composite particle 19788
        hadron 19788
          baryon 19788
            nucleon 19788
              atomic nucleus 19788
                atom 19788
                  main group element atom 19675
                    p-block element atom 19675
                      halogen 18036
                        chlorine atom 17819
                          chlorine molecular entity 17819
                            elemental chlorine 8384
                              monoatomic chlorine 8365
                                chloride 8365
                                  chloride salt 8365
                                    organic chloride salt 665
                                      hydrochloride 435
                                        1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide hydrochloride 0
                                          levobupivacaine hydrochloride (anhydrous) 0
                                            bupivacaine hydrochloride (anhydrous) 0
                                              bupivacaine hydrochloride hydrate 0
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