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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 838
    role 815
      biological role 815
        pharmacological role 354
          neurotransmitter agent 125
            adrenergic agent 28
              sympathomimetic agent 7
                acebutolol hydrochloride 0
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  CHEBI ontology 838
    subatomic particle 822
      composite particle 822
        hadron 822
          baryon 822
            nucleon 822
              atomic nucleus 822
                atom 822
                  main group element atom 810
                    p-block element atom 807
                      halogen 257
                        chlorine atom 218
                          chlorine molecular entity 218
                            elemental chlorine 21
                              monoatomic chlorine 7
                                chloride 7
                                  chloride salt 7
                                    organic chloride salt 1
                                      hydrochloride 1
                                        acebutolol hydrochloride 0
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