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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:edoxaban tosylate
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Accession:CHEBI:85975 term browser browse the term
Definition:An organosulfonate salt obtained by combining equimolar amounts of edoxaban and 4-toluenesulfonic acid. Used (in the form of its monohydrate) for the treatment of deep vein thrombosis and pulmonary embolism.
Synonyms:exact_synonym: 4-methylbenzene-1-sulfonic acid--N(1)-(5-chloropyridin-2-yl)-N(2)-{(1S,2R,4S)-4-(dimethylcarbamoyl)-2-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl}ethanediamide (1/1)
 related_synonym: DU 176b;   Edoxaban tosilate;   Formula=C31H38ClN7O7S2;   InChI=1S/C24H30ClN7O4S.C7H8O3S/c1-31(2)24(36)13-4-6-15(27-20(33)21(34)30-19-7-5-14(25)11-26-19)17(10-13)28-22(35)23-29-16-8-9-32(3)12-18(16)37-23;1-6-2-4-7(5-3-6)11(8,9)10/h5,7,11,13,15,17H,4,6,8-10,12H2,1-3H3,(H,27,33)(H,28,35)(H,26,30,34);2-5H,1H3,(H,8,9,10)/t13-,15-,17+;/m0./s1;   InChIKey=ZLFZITWZOYXXAW-QXXZOGQOSA-N;   SMILES=Cc1ccc(cc1)S(O)(=O)=O.CN(C)C(=O)[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(Cl)cn2)[C@@H](C1)NC(=O)c1nc2CCN(C)Cc2s1;   edoxaban 4-toluenesulfonate;   edoxaban monotosylate;   edoxaban p-toluenesulfonate
 xref: CAS:480449-71-6;   PMID:21446778;   PMID:24459178;   PMID:25179572;   PMID:25374671;   PMID:25404858;   PMID:25855704;   Reaxys:11410837;   Wikipedia:Edoxaban


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Term Annotations click to browse term
  CHEBI ontology 19816
    role 19764
      application 19426
        pharmaceutical 19301
          drug 19301
            hematologic agent 4367
              anticoagulant 4161
                edoxaban tosylate 0
                  edoxaban tosylate hydrate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19816
    subatomic particle 19814
      composite particle 19814
        hadron 19814
          baryon 19814
            nucleon 19814
              atomic nucleus 19814
                atom 19814
                  main group element atom 19702
                    p-block element atom 19702
                      carbon group element atom 19608
                        carbon atom 19597
                          organic molecular entity 19597
                            heteroorganic entity 19184
                              organochalcogen compound 18894
                                organosulfur compound 15223
                                  organosulfonate salt 2
                                    edoxaban tosylate 0
                                      edoxaban tosylate hydrate 0
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