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ONTOLOGY REPORT - ANNOTATIONS


Term:edoxaban tosylate hydrate
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Accession:CHEBI:85974 term browser browse the term
Definition:A hydrate that is the monohydrate of the tosylate salt of edoxaban. Used 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--water (1/1/1)
 related_synonym: Edoxaban tosilate hydrate;   Edoxaban tosylate monohydrate;   Formula=C31H40ClN7O8S2;   InChI=1S/C24H30ClN7O4S.C7H8O3S.H2O/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);1H2/t13-,15-,17+;;/m0../s1;   InChIKey=PSMMNJNZVZZNOI-SJILXJHISA-N;   LIXIANA;   SAVAYSA;   SMILES=O.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
 xref: CAS:1229194-11-9 "ChemIDplus";   KEGG:D09546;   PMID:25179572 "Europe PMC";   PMID:25336863 "Europe PMC";   PMID:25853577 "Europe PMC";   PMID:25855704 "Europe PMC";   Wikipedia:Edoxaban


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  CHEBI ontology 19654
    role 19598
      chemical role 19114
        greenhouse gas 9800
          water 607
            hydrate 588
              edoxaban tosylate hydrate 0
Path 2
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  CHEBI ontology 19654
    subatomic particle 19650
      composite particle 19650
        hadron 19650
          baryon 19650
            nucleon 19650
              atomic nucleus 19650
                atom 19650
                  main group element atom 19531
                    main group molecular entity 19531
                      s-block molecular entity 19314
                        hydrogen molecular entity 19303
                          hydrides 18231
                            inorganic hydride 17095
                              chalcogen hydride 2362
                                oxygen hydride 616
                                  water 607
                                    hydrate 588
                                      edoxaban tosylate hydrate 0
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