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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:Ro 25-6981 maleate
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Accession:CHEBI:180901 term browser browse the term
Definition:The maleic acid salt of Ro 25-6981. It is a potent and selective antagonist of GluN2B-containing NMDA receptors.
Synonyms:exact_synonym: 4-[(1R,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenol (2Z)-but-2-enedioate
 related_synonym: (alphaR,betaS)-alpha-(4-hydroxyphenyl)-beta-methyl-4-(phenylmethyl)-1-piperidinepropanol maleate;   4-((1R,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl)phenol maleate;   Formula=C22H29NO2.C4H4O4;   InChI=1S/C22H29NO2.C4H4O4/c1-17(22(25)20-7-9-21(24)10-8-20)16-23-13-11-19(12-14-23)15-18-5-3-2-4-6-18;5-3(6)1-2-4(7)8/h2-10,17,19,22,24-25H,11-16H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t17-,22+;/m0./s1;   InChIKey=FYJZEHCQSUBZDY-SEELMCCHSA-N;   SMILES=OC(=O)\\C=C/C(O)=O.C[C@@H](CN1CCC(CC2=CC=CC=C2)CC1)[C@@H](O)C1=CC=C(O)C=C1;   alphaR-(4-hydroxyphenyl)-betaS-methyl-4-(phenylmethyl)-1-piperidinepropanol, 2Z-butenedioate
 xref: CAS:1312991-76-6;   Chemspider:21475062;   PMID:25446739;   PMID:27456026;   PMID:9400004


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19831
    role 19807
      biological role 19805
        pharmacological role 19054
          antagonist 17239
            excitatory amino acid antagonist 10750
              NMDA receptor antagonist 9272
                Ro 25-6981 maleate 0
Path 2
Term Annotations click to browse term
  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
                    main group molecular entity 19779
                      s-block molecular entity 19617
                        hydrogen molecular entity 19604
                          hydrides 19102
                            inorganic hydride 18114
                              pnictogen hydride 18103
                                nitrogen hydride 18010
                                  ammonium 8311
                                    ammonium ion derivative 8306
                                      piperidinium ion 46
                                        Ro 25-6981(1+) 0
                                          Ro 25-6981 maleate 0
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