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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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Path 1
Term Annotations click to browse term
  CHEBI ontology 0
    role 0
      biological role 0
        antimicrobial agent 0
          antimicrobial drug 0
            antiprotozoal drug 0
              antiplasmodial drug 0
                antimalarial 0
                  (-)-(11S,2'R)-erythro-mefloquine 0
                    mefloquine 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
                                      [2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol 0
                                        (-)-(11S,2'R)-erythro-mefloquine 0
                                          mefloquine 0
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