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casopitant - Ontology Report - Rat Genome Database

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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:casopitant
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Accession:CHEBI:135967 term browser browse the term
Synonyms:related_synonym: Formula=C30H35F7N4O2;   GW-679769;   GW679769;   InChI=1S/C30H35F7N4O2/c1-18-13-24(31)5-6-26(18)27-17-25(40-11-9-39(10-12-40)20(3)42)7-8-41(27)28(43)38(4)19(2)21-14-22(29(32,33)34)16-23(15-21)30(35,36)37/h5-6,13-16,19,25,27H,7-12,17H2,1-4H3/t19-,25+,27-/m1/s1;   InChIKey=XGGTZCKQRWXCHW-WMTVXVAQSA-N;   SMILES=C1CN(CCN1[C@@H]2C[C@@H](N(CC2)C(N([C@@H](C=3C=C(C=C(C3)C(F)(F)F)C(F)(F)F)C)C)=O)C4=C(C=C(C=C4)F)C)C(C)=O;   casopitant mesilate;   casopitant mesylate;   zunrisa
 xref: CAS:414910-27-3;   Drug_Central:4401
 xref_mesh: MESH:C531951

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  CHEBI ontology 0
    chemical entity 0
      atom 0
        nonmetal atom 0
          nitrogen atom 0
            nitrogen molecular entity 0
              organonitrogen compound 0
                organonitrogen heterocyclic compound 0
                  piperidines 0
                    casopitant 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            organic molecule 0
                              organic cyclic compound 0
                                organic heterocyclic compound 0
                                  organic heteromonocyclic compound 0
                                    piperidines 0
                                      casopitant 0
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