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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:dilazep(2+)
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Accession:CHEBI:170000 term browser browse the term
Definition:A tertiary ammonium ion that is the conjugate acid of dilazep resulting from the protonation of the two amino groups of the diazepane moiety.
Synonyms:exact_synonym: 1,4-bis{3-[(3,4,5-trimethoxybenzoyl)oxy]propyl}-1,4-diazepanediium
 related_synonym: 1,4-bis{3-[(3,4,5-trimethoxybenzoyl)oxy]propyl}-1,4-diazepane-1,4-diium;   Formula=C31H46N2O10;   InChI=1S/C31H44N2O10/c1-36-24-18-22(19-25(37-2)28(24)40-5)30(34)42-16-8-12-32-10-7-11-33(15-14-32)13-9-17-43-31(35)23-20-26(38-3)29(41-6)27(21-23)39-4/h18-21H,7-17H2,1-6H3/p+2;   InChIKey=QVZCXCJXTMIDME-UHFFFAOYSA-P;   SMILES=COC1=CC(=CC(OC)=C1OC)C(=O)OCCC[NH+]1CCC[NH+](CCCOC(=O)C2=CC(OC)=C(OC)C(OC)=C2)CC1;   dilazep dication
 cyclic_relationship: is_conjugate_acid_of CHEBI:92842


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Term Annotations click to browse term
  CHEBI ontology 19811
    chemical entity 19840
      molecular entity 19809
        ion 16709
          organic ion 9854
            organic cation 8915
              tertiary ammonium ion 340
                dilazep(2+) 0
                  dilazep dihydrochloride 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19811
    subatomic particle 19809
      composite particle 19809
        hadron 19840
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19759
                    main group molecular entity 19759
                      p-block molecular entity 19759
                        carbon group molecular entity 19708
                          organic molecular entity 19705
                            organic ion 9854
                              organic cation 8915
                                tertiary ammonium ion 340
                                  dilazep(2+) 0
                                    dilazep dihydrochloride 0
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