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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:(-)-(11S,2'R)-erythro-mefloquine
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Accession:CHEBI:63687 term browser browse the term
Definition:An optically active form of [2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol having (-)-(11S,2'R)-erythro-configuration. An antimalarial agent, used in racemic form, which acts as a blood schizonticide; its mechanism of action is unknown.
Synonyms:exact_synonym: (S)-[2,8-bis(trifluoromethyl)quinolin-4-yl][(2R)-piperidin-2-yl]methanol
 related_synonym: (-)-Mefloquine;   Formula=C17H16F6N2O;   InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/t12-,15+/m1/s1;   InChIKey=XEEQGYMUWCZPDN-DOMZBBRYSA-N;   SMILES=O[C@H]([C@H]1CCCCN1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F;   [(11S,2'R)-2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol
 xref: CAS:51742-87-1;   LINCS:LSM-5525;   Reaxys:5629059
 cyclic_relationship: is_enantiomer_of CHEBI:63684


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Term Annotations click to browse term
  CHEBI ontology 880
    role 860
      biological role 860
        antimicrobial agent 230
          antimicrobial drug 53
            antiprotozoal drug 27
              antiplasmodial drug 19
                antimalarial 19
                  (-)-(11S,2'R)-erythro-mefloquine 0
                    mefloquine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 880
    subatomic particle 865
      composite particle 865
        hadron 865
          baryon 865
            nucleon 865
              atomic nucleus 865
                atom 865
                  main group element atom 855
                    p-block element atom 852
                      carbon group element atom 828
                        carbon atom 827
                          organic molecular entity 827
                            organic molecule 741
                              organic cyclic compound 651
                                organic heterocyclic compound 363
                                  organic heteromonocyclic compound 189
                                    piperidines 20
                                      [2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol 0
                                        (-)-(11S,2'R)-erythro-mefloquine 0
                                          mefloquine 0
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