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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:Roxane
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Accession:CHEBI:94758 term browser browse the term
Definition:A piperidine that has formula C19H28N2O4.
Synonyms:exact_synonym: 2-oxo-2-[(3-{3-[(piperidin-1-yl)methyl]phenoxy}propyl)amino]ethyl acetate
 related_synonym: Formula=C19H28N2O4;   InChI=1S/C19H28N2O4/c1-16(22)25-15-19(23)20-9-6-12-24-18-8-5-7-17(13-18)14-21-10-3-2-4-11-21/h5,7-8,13H,2-4,6,9-12,14-15H2,1H3,(H,20,23);   InChIKey=SMTZFNFIKUPEJC-UHFFFAOYSA-N;   Roxatidine acetate;   SMILES=CC(=O)OCC(=O)NCCCOC1=CC=CC(=C1)CN2CCCCC2;   aceroxatidine;   acetic acid [2-oxo-2-[3-[3-(1-piperidinylmethyl)phenoxy]propylamino]ethyl] ester;   pifatidine
 xref: CAS:78628-28-1;   Chemspider:4926;   Drug_Central:2408;   HMDB:HMDB0015695;   KEGG:D08495;   LINCS:LSM-5874
 xref_mesh: MESH:C053742



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Roxane term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Hrh2 histamine receptor H 2 multiple interactions EXP [roxatidine acetate binds to and results in decreased activity of HRH2 protein] which affects the susceptibility to Histamine CTD PMID:12832840 NCBI chr17:10,368,355...10,407,791
Ensembl chr17:10,368,298...10,407,631
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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20056
    chemical entity 20055
      atom 20054
        nonmetal atom 19945
          nitrogen atom 18932
            nitrogen molecular entity 18932
              organonitrogen compound 18703
                organonitrogen heterocyclic compound 17731
                  piperidines 7687
                    Roxane 1
                      Roxatidine acetate hydrochloride 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 20056
    subatomic particle 20054
      composite particle 20054
        hadron 20054
          baryon 20054
            nucleon 20054
              atomic nucleus 20054
                atom 20054
                  main group element atom 19956
                    p-block element atom 19956
                      carbon group element atom 19882
                        carbon atom 19875
                          organic molecular entity 19875
                            organic molecule 19822
                              organic cyclic compound 19575
                                organic heterocyclic compound 18798
                                  organic heteromonocyclic compound 17145
                                    piperidines 7687
                                      Roxane 1
                                        Roxatidine acetate hydrochloride 0
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