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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 20089
    chemical entity 20088
      chemical substance 13325
        mixture 12455
          racemate 10556
            bupivacaine hydrochloride hydrate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 20089
    subatomic particle 20058
      composite particle 20058
        hadron 20088
          baryon 20088
            nucleon 20088
              atomic nucleus 20088
                atom 20058
                  main group element atom 19960
                    p-block element atom 19990
                      halogen 18546
                        chlorine atom 18335
                          chlorine molecular entity 18309
                            elemental chlorine 8473
                              monoatomic chlorine 8447
                                chloride 8447
                                  chloride salt 8447
                                    organic chloride salt 930
                                      hydrochloride 699
                                        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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