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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:quinacrine mustard dihydrochloride
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Accession:CHEBI:21182 term browser browse the term
Definition:A hydrochloride that has formula C23H30Cl5N3O.
Synonyms:exact_synonym: N(1),N(1)-bis(2-chloroethyl)-N(4)-(6-chloro-2-methoxyacridin-9-yl)pentane-1,4-diamine dihydrochloride
 related_synonym: Formula=C23H30Cl5N3O;   ICR 10;   InChI=1S/C23H28Cl3N3O.2ClH/c1-16(4-3-11-29(12-9-24)13-10-25)27-23-19-7-5-17(26)14-22(19)28-21-8-6-18(30-2)15-20(21)23;;/h5-8,14-16H,3-4,9-13H2,1-2H3,(H,27,28);2*1H;   InChIKey=JETDZFFCRPFPDH-UHFFFAOYSA-N;   SMILES=[H+].[H+].[Cl-].[Cl-].COc1ccc2nc3cc(Cl)ccc3c(NC(C)CCCN(CCCl)CCCl)c2c1;   mepacrine mustard dihydrochloride
 xref: Beilstein:3819822;   CAS:4213-45-0


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Path 1
Term Annotations click to browse term
  CHEBI ontology 26034
    role 25961
      biological role 25929
        aetiopathogenetic role 24592
          genotoxin 20129
            mutagen 19879
              intercalator 3645
                quinacrine mustard dihydrochloride 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26034
    subatomic particle 26009
      composite particle 26009
        hadron 26020
          baryon 26009
            nucleon 26009
              atomic nucleus 26009
                atom 26009
                  main group element atom 25834
                    p-block element atom 25834
                      carbon group element atom 25434
                        carbon atom 25403
                          organic molecular entity 25392
                            organic molecule 25222
                              organic cyclic compound 24274
                                organic heterocyclic compound 22328
                                  organic heteropolycyclic compound 21329
                                    organic heterotricyclic compound 15986
                                      dibenzopyridine 174
                                        acridines 136
                                          acridine 34
                                            quinacrine 34
                                              quinacrine mustard 0
                                                quinacrine mustard dihydrochloride 0
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