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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:dobutamine hydrochloride
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Accession:CHEBI:4671 term browser browse the term
Definition:The hydrochloride salt of dobutamine. A beta1-adrenergic receptor agonist that has cardiac stimulant action without evoking vasoconstriction or tachycardia, it is used to increase the contractility of the heart in the management of acute heart failure.
Synonyms:exact_synonym: N-[2-(3,4-dihydroxyphenyl)ethyl]-4-(4-hydroxyphenyl)butan-2-aminium chloride
 related_synonym: (+-)-4-(2-((3-(p-hydroxyphenyl)-1-methylpropyl)amino)ethyl)pyrocatechol hydrochloride;   4-(2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)benzene-1,2-diol hydrochloride;   DL-dobutamine hydrochloride;   Formula=C18H24ClNO3;   InChI=1S/C18H23NO3.ClH/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15;/h4-9,12-13,19-22H,2-3,10-11H2,1H3;1H;   InChIKey=BQKADKWNRWCIJL-UHFFFAOYSA-N;   SMILES=[Cl-].CC(CCc1ccc(O)cc1)[NH2+]CCc1ccc(O)c(O)c1;   dobutamine HCl
 xref: Beilstein:6023420;   CAS:49745-95-1;   DrugBank:DB00841;   KEGG:D00632



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Term Annotations click to browse term
  CHEBI ontology 20056
    role 20008
      biological role 20007
        pharmacological role 19087
          neurotransmitter agent 16522
            adrenergic agent 9107
              sympathomimetic agent 5497
                dobutamine hydrochloride 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 20056
    subatomic particle 20054
      composite particle 20054
        hadron 20054
          baryon 20054
            nucleon 20054
              atomic nucleus 20054
                atom 20054
                  main group element atom 19956
                    main group molecular entity 19956
                      s-block molecular entity 19752
                        hydrogen molecular entity 19745
                          hydrides 19114
                            inorganic hydride 17882
                              pnictogen hydride 17865
                                nitrogen hydride 17754
                                  azane 17503
                                    ammonia 17502
                                      organic amino compound 17502
                                        aralkylamino compound 942
                                          monoamine 597
                                            monoamine molecular messenger 597
                                              catecholamine 546
                                                dobutamine 77
                                                  dobutamine hydrochloride 0
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