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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:levobupivacaine hydrochloride hydrate
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Accession:CHEBI:77453 term browser browse the term
Definition:The monohydrate form of levobupivacaine hydrochloride. A piperidinecarboxamide-based local anaesthetic, it has a slow onset and long duration of action.
Synonyms:exact_synonym: (2S)-1-butyl-2-[(2,6-dimethylphenyl)carbamoyl]piperidinium chloride--water (1/1);   (2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide hydrochloride--water (1/1)
 related_synonym: (S)-1-butyl-2',6'-pipecoloxylidide 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/t16-;;/m0../s1;   InChIKey=HUCIWBPMHXGLFM-SQKCAUCHSA-N;   SMILES=O.Cl.CCCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C;   levobupivacaine monohydrochloride monohydrate;   levobupivacaine.HCl.H2O
 cyclic_relationship: is_enantiomer_of CHEBI:77454


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19770
    role 19718
      chemical role 19247
        emulsifier 3784
          surfactant 3784
            amphiphile 22
              levobupivacaine hydrochloride hydrate 0
                bupivacaine hydrochloride hydrate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19770
    subatomic particle 19768
      composite particle 19768
        hadron 19768
          baryon 19768
            nucleon 19768
              atomic nucleus 19768
                atom 19768
                  main group element atom 19655
                    p-block element atom 19655
                      halogen 18001
                        chlorine atom 17792
                          chlorine molecular entity 17792
                            elemental chlorine 8369
                              monoatomic chlorine 8350
                                chloride 8350
                                  chloride salt 8350
                                    organic chloride salt 663
                                      hydrochloride 435
                                        1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide hydrochloride 0
                                          levobupivacaine hydrochloride (anhydrous) 0
                                            levobupivacaine hydrochloride hydrate 0
                                              bupivacaine hydrochloride hydrate 0
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