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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:esmolol hydrochloride
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Accession:CHEBI:4857 term browser browse the term
Definition:The hydrochloride salt of esmolol. A cardioselective and short-acting beta1 receptor blocker with rapid onset but lacking intrinsic sympathomimetic and membrane-stabilising properties, it is used in the management of supraventricular arrhythmias, and for the control of hypertension and tachycardia during surgery.
Synonyms:exact_synonym: 2-hydroxy-3-[4-(3-methoxy-3-oxopropyl)phenoxy]-N-(propan-2-yl)propan-1-aminium chloride
 related_synonym: 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)benzenepropanoic acid methyl ester HCl;   4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)benzenepropanoic acid methyl ester hydrochloride;   Formula=C16H26ClNO4;   InChI=1S/C16H25NO4.ClH/c1-12(2)17-10-14(18)11-21-15-7-4-13(5-8-15)6-9-16(19)20-3;/h4-5,7-8,12,14,17-18H,6,9-11H2,1-3H3;1H;   InChIKey=GEKNCWBANDDJJL-UHFFFAOYSA-N;   SMILES=[Cl-].COC(=O)CCc1ccc(OCC(O)C[NH2+]C(C)C)cc1;   esmolol HCl;   methyl 3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoate hydrochloride;   methyl p-(2-hydroxy-3-(isopropylamino)propoxy)hydrocinnamate hydrochloride
 xref: Beilstein:5185568;   CAS:81161-17-3;   DrugBank:DB00187;   KEGG:D00644;   PMID:1642945


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19831
    chemical entity 19829
      chemical substance 14403
        mixture 13722
          racemate 12097
            esmolol 13
              esmolol hydrochloride 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19831
    subatomic particle 19829
      composite particle 19829
        hadron 19829
          baryon 19829
            nucleon 19829
              atomic nucleus 19829
                atom 19829
                  main group element atom 19779
                    main group molecular entity 19779
                      s-block molecular entity 19617
                        hydrogen molecular entity 19604
                          hydrides 19102
                            inorganic hydride 18114
                              pnictogen hydride 18103
                                nitrogen hydride 18010
                                  azane 17819
                                    ammonia 17818
                                      organic amino compound 17818
                                        amino alcohol 1071
                                          ethanolamines 821
                                            3-\{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl\}propanoic acid 13
                                              methyl 3-\{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl\}propanoate 13
                                                (S)-esmolol 13
                                                  esmolol 13
                                                    esmolol hydrochloride 0
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