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Accession:CHEBI:83528 term browser browse the term
Definition:A nitrile that is pentanenitrile substituted by a 3,4-dimethoxyphenyl group at position 2, a methylamino group at position 4 and an isopropyl group at position 2. It is a metabolite of the drug verapamil.
Synonyms:exact_synonym: 2-(3,4-dimethoxyphenyl)-5-(methylamino)-2-(propan-2-yl)pentanenitrile
 related_synonym: 2-(3,4-dimethoxyphenyl)-5-amino-2-isopropylvaleronitrile;   3,4-dimethoxy-alpha-(3-(methylamino)propyl)-alpha-(1-methylethyl)benzeneacetonitrile;   3-(3,4-dimethoxyphenyl)-2-methyl-6-methylaminohexane-3-carbonitrile;   Formula=C17H26N2O2;   InChI=1S/C17H26N2O2/c1-13(2)17(12-18,9-6-10-19-3)14-7-8-15(20-4)16(11-14)21-5/h7-8,11,13,19H,6,9-10H2,1-5H3;   InChIKey=WLOBUUJURNEQCL-UHFFFAOYSA-N;   SMILES=CNCCCC(C#N)(C(C)C)c1ccc(OC)c(OC)c1
 xref: CAS:34245-14-2 "ChemIDplus";   PMID:14744940 "Europe PMC";   PMID:1714000 "Europe PMC";   PMID:2060546 "Europe PMC";   Reaxys:2751750 "Reaxys"

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  CHEBI ontology 19734
    chemical entity 19732
      group 19640
        pseudohalo group 2776
          cyano group 2776
            nitrile 2776
              D617 0
Path 2
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  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
                                          D617 0
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