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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 19899
    role 19869
      biological role 19867
        pharmacological role 19101
          neurotransmitter agent 16813
            adrenergic agent 9183
              sympathomimetic agent 5598
                acebutolol 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 19835
                    p-block element atom 19835
                      halogen 18703
                        chlorine atom 18489
                          chlorine molecular entity 18489
                            elemental chlorine 8796
                              monoatomic chlorine 8781
                                chloride 8781
                                  chloride salt 8781
                                    organic chloride salt 1107
                                      hydrochloride 738
                                        acebutolol hydrochloride 0
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