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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
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Accession:CHEBI:6820 term browser browse the term
Definition:A member of the class of ethylenediamine derivatives that is ethylenediamine in which one of the nitrogens is substituted by two methyl groups, and the other nitrogen is substituted by a 2-pyridyl group and a (2-thienyl)methyl group.
Synonyms:exact_synonym: N,N-dimethyl-N'-pyridin-2-yl-N'-[(thiophen-2-yl)methyl]ethane-1,2-diamine
 related_synonym: 2-[[2-(dimethylamino)ethyl]-2-thenylamino]pyridine;   Formula=C14H19N3S;   Histadyl;   InChI=1S/C14H19N3S/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;   InChIKey=HNJJXZKZRAWDPF-UHFFFAOYSA-N;   Lullamin;   N,N-dimethyl-N'-pyrid-2-yl-N'-2-thenylethylenediamine;   N,N-dimethyl-N'-pyridin-2-yl-N'-(2-thienylmethyl)ethane-1,2-diamine;   N-(alpha-pyridyl)-N-(alpha-thenyl)-N',N'-dimethylethylenediamine;   Paradormalene;   Pyrathyn;   Pyrinistab;   Pyrinistol;   Rest-on;   Restryl;   SMILES=CN(C)CCN(Cc1cccs1)c1ccccn1;   Semikon;   Sleepwell;   Thenylene;   Thionylan;   methypyrilene;   thenylpyramine
 xref: Beilstein:220729;   CAS:91-80-5;   DrugBank:DB04819;   Drug_Central:1738;   KEGG:C11114;   LINCS:LSM-5582
 xref_mesh: MESH:D008701
 xref: PMID:11137066;   PMID:22015589;   PMID:24486436;   Patent:US2581868;   Reaxys:220729;   Wikipedia:Methapyrilene


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    Path 1
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      CHEBI ontology 22205
        role 22190
          biological role 22189
            aetiopathogenetic role 21290
              carcinogenic agent 19706
                methapyrilene 3516
                  methapyrilene hydrochloride 0
    Path 2
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      CHEBI ontology 22205
        subatomic particle 22197
          composite particle 22197
            hadron 22197
              baryon 22197
                nucleon 22169
                  atomic nucleus 22197
                    atom 22197
                      main group element atom 22131
                        main group molecular entity 22131
                          s-block molecular entity 21729
                            hydrogen molecular entity 21646
                              hydrides 20783
                                inorganic hydride 18707
                                  pnictogen hydride 18687
                                    nitrogen hydride 18556
                                      azane 18461
                                        ammonia 18426
                                          organic amino compound 18460
                                            polyamine 8961
                                              diamine 8901
                                                primary diamine 5709
                                                  alkane-alpha,omega-diamine 3776
                                                    ethylenediamine 3749
                                                      ethylenediamine derivative 3570
                                                        methapyrilene 3516
                                                          methapyrilene hydrochloride 0
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