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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:dimethylthiambutene
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Accession:CHEBI:59781 term browser browse the term
Definition:N,N-Dimethylbut-3-en-2-amine in which each of the hydrogens at position 4 is substituted by a 2-thienyl group. An opioid analgesic drug, it is controlled under the UN Single Convention on Narcotic Drugs (1961), but is used in veterinary medicine, particularly in Japan.
Synonyms:exact_synonym: N,N-dimethyl-4,4-di(thiophen-2-yl)but-3-en-2-amine
 related_synonym: 3-dimethylamino-1,1-bis(2-thienyl)-1-butene;   3-dimethylamino-1,1-di-(2'-thienyl)-1-butene;   Formula=C14H17NS2;   InChI=1S/C14H17NS2/c1-11(15(2)3)10-12(13-6-4-8-16-13)14-7-5-9-17-14/h4-11H,1-3H3;   InChIKey=CANBGVXYBPOLRR-UHFFFAOYSA-N;   N,N,1-trimethyl-3,3-di(2-thienyl)-2-propenylamine;   N,N,1-trimethyl-3,3-di-2-thienylallylamine;   N,N-dimethyl-4,4-di(2-thienyl)-3-buten-2-amine;   SMILES=CC(C=C(c1cccs1)c1cccs1)N(C)C;   dimethylthiambutenum;   dimetiltiambuteno
 xref: Beilstein:84891;   CAS:524-84-5;   DrugBank:DB01444;   Drug_Central:3156;   Patent:GB657301;   Patent:US2561899


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Term Annotations click to browse term
  CHEBI ontology 19840
    role 19816
      biological role 19814
        pharmacological role 19059
          analgesic 14743
            opioid analgesic 669
              dimethylthiambutene 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19840
    subatomic particle 19838
      composite particle 19838
        hadron 19838
          baryon 19838
            nucleon 19838
              atomic nucleus 19838
                atom 19838
                  main group element atom 19788
                    main group molecular entity 19788
                      s-block molecular entity 19621
                        hydrogen molecular entity 19608
                          hydrides 19112
                            inorganic hydride 18121
                              pnictogen hydride 18110
                                nitrogen hydride 18018
                                  azane 17824
                                    ammonia 17823
                                      organic amino compound 17823
                                        tertiary amino compound 10139
                                          tertiary amine 644
                                            dimethylthiambutene 0
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