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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:cilazapril monohydrate
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Accession:CHEBI:145568 term browser browse the term
Definition:A hydrate that is the monohydrate of cilazapril. It is used for the treatment of hypertension and heart failure.
Synonyms:exact_synonym: (1S,9S)-9-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}-10-oxooctahydro-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid--water (1/1)
 related_synonym: (1S,9S)-9-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}-10-oxooctahydro-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid hydrate;   Formula=C22H31N3O5.H2O;   InChI=1S/C22H31N3O5.H2O/c1-2-30-22(29)18(13-12-16-8-4-3-5-9-16)23-17-10-6-14-24-15-7-11-19(21(27)28)25(24)20(17)26;/h3-5,8-9,17-19,23H,2,6-7,10-15H2,1H3,(H,27,28);1H2/t17-,18-,19-;/m0./s1;   InChIKey=JQRZBPFGBRIWSN-YOTVLOEGSA-N;   Inhibace;   Justor;   Ro 31-2848 monohydrate;   SMILES=C1CC[C@@H](C(N2N1CCC[C@H]2C(=O)O)=O)N[C@H](C(OCC)=O)CCC3=CC=CC=C3.O;   cilazapril;   cilazapril hydrate;   cilazapril.H2O
 xref: CAS:92077-78-6;   DrugBank:DBSALT001097;   KEGG:D01069
 xref_mesh: MESH:D017315
 xref: PMID:1836986;   PMID:1839765

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  CHEBI ontology 0
    role 0
      application 0
        pro-agent 0
          prodrug 0
            cilazapril monohydrate 0
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    main group molecular entity 0
                      s-block molecular entity 0
                        hydrogen molecular entity 0
                          hydrides 0
                            inorganic hydride 0
                              pnictogen hydride 0
                                nitrogen hydride 0
                                  azane 0
                                    ammonia 0
                                      organic amino compound 0
                                        amino acid 0
                                          non-proteinogenic amino acid 0
                                            non-proteinogenic alpha-amino acid 0
                                              Cilazaprilat 0
                                                cilazapril 0
                                                  cilazapril monohydrate 0
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