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ONTOLOGY REPORT - ANNOTATIONS


Term:acebutolol hydrochloride
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Accession:CHEBI:2380 term browser browse the term
Definition:The hydrochloride salt of acebutolol, prepared using equimolar amounts of acebutolol and hydrogen chloride.
Synonyms:exact_synonym: N-{3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}butanamide hydrochloride
 related_synonym: (+-)-3'-acetyl-4'-(2-hydroxy-3-(isopropylamino)propoxy)butyranilide monohydrochloride;   3'-acetyl-4'-(2-hydroxy-3-(isopropylamino)propoxy)butyranilide hydrochloride;   Formula=C18H28N2O4.HCl;   InChI=1S/C18H28N2O4.ClH/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3;/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23);1H;   InChIKey=KTUFKADDDORSSI-UHFFFAOYSA-N;   Neptal;   Prent;   SMILES=Cl[H].CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(c1)C(C)=O;   Sectral;   dl-1-(2-acetyl-4-butyramidophenoxy)-2-hydroxy-3-isopropylaminopropane hydrochloride
 xref: Beilstein:6080568 "Beilstein";   CAS:34381-68-5 "ChemIDplus";   CAS:34381-68-5 "KEGG COMPOUND";   DrugBank:DB01193;   Gmelin:2181029 "Gmelin";   KEGG:C07677;   KEGG:D00597


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  CHEBI ontology 23805
    role 23692
      biological role 23655
        pharmacological role 20965
          neurotransmitter agent 18618
            adrenergic agent 9137
              sympathomimetic agent 5343
                acebutolol hydrochloride 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 23805
    subatomic particle 23756
      composite particle 23756
        hadron 23756
          baryon 23756
            nucleon 23756
              atomic nucleus 23756
                atom 23756
                  main group element atom 23575
                    p-block element atom 23575
                      halogen 19242
                        chlorine atom 18774
                          chlorine molecular entity 18774
                            elemental chlorine 8218
                              monoatomic chlorine 8198
                                chloride 8198
                                  chloride salt 8198
                                    organic chloride salt 674
                                      hydrochloride 430
                                        acebutolol hydrochloride 0
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