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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:methapyrilene hydrochloride
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Accession:CHEBI:38213 term browser browse the term
Definition:A hydrochloride that is the monohydrochloride salt of methapyrilene.
Synonyms:exact_synonym: N,N-dimethyl-N'-pyridin-2-yl-N'-[(thiophen-2-yl)methyl]ethane-1,2-diamine hydrochloride
 related_synonym: 2-((2-(Dimethylamino)ethyl)-2-thenylamino)pyridine monohydrochloride;   Formula=C14H19N3S.ClH;   Formula=C14H20ClN3S;   InChI=1S/C14H19N3S.ClH/c1-16(2)9-10-17(12-13-6-5-11-18-13)14-7-3-4-8-15-14;/h3-8,11H,9-10,12H2,1-2H3;1H;   InChIKey=BONORRGKLJBGRV-UHFFFAOYSA-N;   Methoxylene;   SMILES=Cl.CN(C)CCN(Cc1cccs1)c1ccccn1;   Thenylene hydrochloride;   Thenylpyramine hydrochloride;   methypyrilene hydrochloride
 xref: CAS:135-23-9;   DrugBank:DB04819;   PMID:11986676;   PMID:6136519


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  CHEBI ontology 19853
    role 19804
      biological role 19804
        aetiopathogenetic role 18987
          carcinogenic agent 18345
            methapyrilene hydrochloride 0
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  CHEBI ontology 19853
    subatomic particle 19851
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        hadron 19851
          baryon 19851
            nucleon 19851
              atomic nucleus 19851
                atom 19851
                  main group element atom 19744
                    main group molecular entity 19744
                      s-block molecular entity 19491
                        hydrogen molecular entity 19483
                          hydrides 18748
                            inorganic hydride 17481
                              pnictogen hydride 17454
                                nitrogen hydride 17296
                                  azane 17015
                                    ammonia 17014
                                      organic amino compound 17013
                                        polyamine 8238
                                          diamine 8165
                                            primary diamine 5645
                                              alkane-alpha,omega-diamine 3740
                                                ethylenediamine 3715
                                                  ethylenediamine derivative 3551
                                                    methapyrilene 3504
                                                      methapyrilene hydrochloride 0
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