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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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Path 1
Term Annotations click to browse term
  CHEBI ontology 19899
    role 19870
      biological role 19868
        pharmacological role 19105
          neurotransmitter agent 16812
            adrenergic agent 9193
              sympathomimetic agent 5606
                dobutamine hydrochloride 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19899
    subatomic particle 19897
      composite particle 19897
        hadron 19897
          baryon 19897
            nucleon 19897
              atomic nucleus 19897
                atom 19897
                  main group element atom 19836
                    main group molecular entity 19836
                      s-block molecular entity 19670
                        hydrogen molecular entity 19652
                          hydrides 19162
                            inorganic hydride 18180
                              pnictogen hydride 18170
                                nitrogen hydride 18083
                                  azane 17891
                                    ammonia 17890
                                      organic amino compound 17890
                                        aralkylamino compound 1089
                                          monoamine 640
                                            monoamine molecular messenger 640
                                              catecholamine 583
                                                dobutamine 77
                                                  dobutamine hydrochloride 0
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