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ONTOLOGY REPORT - ANNOTATIONS


Term:desmethylranitidine
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Accession:CHEBI:132051 term browser browse the term
Definition:A member of the class of furans that is a metabolite of ranitidine in rats and humans.
Synonyms:exact_synonym: N(1)-methyl-N'(1)-{2-[({5-[(methylamino)methyl]furan-2-yl}methyl)sulfanyl]ethyl}-2-nitroethene-1,1-diamine
 related_synonym: 5-Desmethylranitidine;   Formula=C12H20N4O3S;   InChI=1S/C12H20N4O3S/c1-13-7-10-3-4-11(19-10)9-20-6-5-15-12(14-2)8-16(17)18/h3-4,8,13-15H,5-7,9H2,1-2H3;   InChIKey=WZLBVRXZNDXPPW-UHFFFAOYSA-N;   SMILES=[O-][N+](=O)C=C(NCCSCC=1OC(CNC)=CC1)NC;   desmethyl ranitidine
 xref: CAS:66357-25-3 "ChemIDplus";   Chemspider:8555507;   PMID:11128045 "Europe PMC";   PMID:2760148 "Europe PMC";   PMID:4008551 "Europe PMC";   PMID:6117305 "Europe PMC";   PMID:6119773 "Europe PMC";   PMID:6133718 "Europe PMC";   PMID:6252316 "Europe PMC";   PMID:6271798 "Europe PMC";   PMID:6281996 "Europe PMC";   PMID:6284777 "Europe PMC";   PMID:7645303 "Europe PMC";   Reaxys:6425877 "Reaxys"


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Term Annotations click to browse term
  CHEBI ontology 19734
    chemical entity 19732
      group 19640
        inorganic group 19123
          nitro group 7092
            nitro compound 7092
              C-nitro compound 6880
                desmethylranitidine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19734
    subatomic particle 19730
      composite particle 19730
        hadron 19730
          baryon 19730
            nucleon 19730
              atomic nucleus 19730
                atom 19730
                  main group element atom 19614
                    main group molecular entity 19614
                      s-block molecular entity 19378
                        hydrogen molecular entity 19367
                          hydrides 18289
                            inorganic hydride 17210
                              pnictogen hydride 17172
                                nitrogen hydride 17008
                                  azane 16699
                                    ammonia 16696
                                      organic amino compound 16695
                                        secondary amino compound 6383
                                          desmethylranitidine 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.