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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 19808
        role 19784
          biological role 19782
            aetiopathogenetic role 19166
              carcinogenic agent 18496
                methapyrilene 3519
                  methapyrilene hydrochloride 0
    Path 2
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      CHEBI ontology 19808
        subatomic particle 19806
          composite particle 19806
            hadron 19806
              baryon 19806
                nucleon 19806
                  atomic nucleus 19806
                    atom 19806
                      main group element atom 19756
                        main group molecular entity 19756
                          s-block molecular entity 19595
                            hydrogen molecular entity 19582
                              hydrides 19095
                                inorganic hydride 18093
                                  pnictogen hydride 18082
                                    nitrogen hydride 17989
                                      azane 17798
                                        ammonia 17797
                                          organic amino compound 17797
                                            polyamine 9021
                                              diamine 8956
                                                primary diamine 5704
                                                  alkane-alpha,omega-diamine 3781
                                                    ethylenediamine 3755
                                                      ethylenediamine derivative 3574
                                                        methapyrilene 3519
                                                          methapyrilene hydrochloride 0
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