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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:N-\{2-[(4-benzylpiperidin-1-yl)methyl]benzimidazol-5-yl\}methanesulfonamide
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Accession:CHEBI:177875 term browser browse the term
Definition:A member of the class of benzimidazoles that is 1H-benzimidazole substituted by (4-benzylpiperidin-1-yl)methyl and (methylsulfonyl)amino groups at positions 2 and 6, respectively. It is a potent antagonist of the GluN2B subunit of the N-methyl-D-aspartate (NMDA) receptor.
Synonyms:exact_synonym: N-{2-[(4-benzylpiperidin-1-yl)methyl]-1H-benzimidazol-6-yl}methanesulfonamide
 related_synonym: Formula=C21H26N4O2S;   InChI=1S/C21H26N4O2S/c1-28(26,27)24-18-7-8-19-20(14-18)23-21(22-19)15-25-11-9-17(10-12-25)13-16-5-3-2-4-6-16/h2-8,14,17,24H,9-13,15H2,1H3,(H,22,23);   InChIKey=WAUCNDQNILDAKL-UHFFFAOYSA-N;   N-[2-(4-Benzyl-piperidin-1-ylmethyl)-3H-benzoimidazol-5-yl]-methanesulfonamide;   N-{2-[(4-benzylpiperidin-1-yl)methyl]benzimidazol-5-yl}methanesulphonamide;   N-{2-[(4-benzylpiperidin-1-yl)methyl]benzimidazol-5-yl}propane-2-sulfonamide;   SMILES=CS(=O)(=O)NC1=CC2=C(C=C1)N=C(CN1CCC(CC3=CC=CC=C3)CC1)N2;   XK1
 xref: Chemspider:7997968;   PMID:15056006;   PMID:16782335;   PMID:17290978;   PMID:20082612;   PMID:21453995


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  CHEBI ontology 19831
    role 19807
      application 19650
        NMR chemical shift reference compound 17958
          ammonia 17818
            organic amino compound 17818
              tertiary amino compound 10134
                N-\{2-[(4-benzylpiperidin-1-yl)methyl]benzimidazol-5-yl\}methanesulfonamide 0
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  CHEBI ontology 19831
    subatomic particle 19829
      composite particle 19829
        hadron 19829
          baryon 19829
            nucleon 19829
              atomic nucleus 19829
                atom 19829
                  main group element atom 19779
                    p-block element atom 19779
                      chalcogen 19534
                        oxygen atom 19509
                          oxygen molecular entity 19509
                            hydroxides 19320
                              oxoacid 18744
                                chalcogen oxoacid 13770
                                  sulfur oxoacid 13558
                                    sulfonic acid 11598
                                      sulfonic acid derivative 11598
                                        sulfonamide 5300
                                          N-\{2-[(4-benzylpiperidin-1-yl)methyl]benzimidazol-5-yl\}methanesulfonamide 0
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