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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 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;   KEGG:D09546;   PMID:25179572;   PMID:25336863;   PMID:25853577;   PMID:25855704;   Wikipedia:Edoxaban


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Term Annotations click to browse term
  CHEBI ontology 19816
    role 19764
      chemical role 19288
        greenhouse gas 10446
          water 625
            hydrate 602
              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
                    main group molecular entity 19702
                      s-block molecular entity 19461
                        hydrogen molecular entity 19452
                          hydrides 18707
                            inorganic hydride 17430
                              chalcogen hydride 2430
                                oxygen hydride 633
                                  water 625
                                    hydrate 602
                                      edoxaban tosylate hydrate 0
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