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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: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;   CAS:34381-68-5;   DrugBank:DB01193;   Gmelin:2181029;   KEGG:C07677;   KEGG:D00597


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Term Annotations click to browse term
  CHEBI ontology 5052
    role 5044
      biological role 5016
        pharmacological role 620
          neurotransmitter agent 181
            adrenergic agent 28
              sympathomimetic agent 7
                acebutolol hydrochloride 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5052
    subatomic particle 5043
      composite particle 5043
        hadron 5071
          baryon 5043
            nucleon 5043
              atomic nucleus 5043
                atom 5043
                  main group element atom 5013
                    p-block element atom 5010
                      halogen 317
                        chlorine atom 261
                          chlorine molecular entity 266
                            elemental chlorine 27
                              monoatomic chlorine 13
                                chloride 13
                                  chloride salt 13
                                    organic chloride salt 5
                                      hydrochloride 5
                                        acebutolol hydrochloride 0
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