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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:devapamil
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Accession:CHEBI:34673 term browser browse the term
Definition:A nitrile that acts as an L-type calcium channel blocker.
Synonyms:exact_synonym: 2-(3,4-dimethoxyphenyl)-2-isopropyl-5-{[2-(3-methoxyphenyl)ethyl](methyl)amino}pentanenitrile
 related_synonym: 2-(3,4-Dimethoxyphenyl)-2-isopropyl-5-((m-methoxyphenethyl)methylamino)valeronitrile;   Formula=C26H36N2O3;   InChI=1S/C26H36N2O3/c1-20(2)26(19-27,22-11-12-24(30-5)25(18-22)31-6)14-8-15-28(3)16-13-21-9-7-10-23(17-21)29-4/h7,9-12,17-18,20H,8,13-16H2,1-6H3;   InChIKey=VMVKIDPOEOLUFS-UHFFFAOYSA-N;   SMILES=COc1cccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)c1;   devapamilo;   devapamilum
 xref: CAS:92302-55-1;   KEGG:C13763;   PMID:1652439;   PMID:8937723;   Patent:US2003064085;   Patent:US6344461;   Reaxys:8796407;   Wikipedia:Devapamil



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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19800
    chemical entity 19800
      group 19722
        pseudohalo group 3821
          cyano group 3821
            nitrile 3821
              devapamil 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19800
    subatomic particle 19799
      composite particle 19799
        hadron 19799
          baryon 19799
            nucleon 19799
              atomic nucleus 19799
                atom 19799
                  main group element atom 19698
                    main group molecular entity 19698
                      s-block molecular entity 19479
                        hydrogen molecular entity 19471
                          hydrides 18834
                            inorganic hydride 17691
                              pnictogen hydride 17671
                                nitrogen hydride 17543
                                  azane 17278
                                    ammonia 17277
                                      organic amino compound 17277
                                        tertiary amino compound 8697
                                          devapamil 0
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