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CHEBI:85974 - edoxaban tosylate hydrate

ChEBI IDCHEBI:85974
ChEBI Nameedoxaban tosylate hydrate
Stars
DefinitionA hydrate that is the monohydrate of the tosylate salt of edoxaban. Used for the treatment of deep vein thrombosis and pulmonary embolism.
Last Modified9 June 2015
SubmitterSteve
DownloadsMolfile
FormulaC24H30ClN7O4S.C7H8O3S.H2O
Net Charge0
Average Mass738.289
Monoisotopic Mass737.20683
SMILESCN1CCc2nc(C(=O)N[C@@H]3C[C@@H](C(=O)N(C)C)CC[C@@H]3NC(=O)C(=O)Nc3ccc(Cl)cn3)sc2C1.Cc1ccc(S(=O)(=O)O)cc1.O
InChIInChI=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
InChIKeyPSMMNJNZVZZNOI-SJILXJHISA-N
Wikipedia
Roles Classification
Biological Role:
EC 3.4.21.6 (coagulation factor Xa) inhibitor  An EC 3.4.21.* (serine endopeptidase) inhibitor that interferes with the action of coagulation factor Xa (EC 3.4.21.6).
Applications:
anticoagulant  An agent that prevents blood clotting.
platelet aggregation inhibitor  A drug or agent which antagonizes or impairs any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.
ChEBI Ontology
Outgoing Relation(s)
edoxaban tosylate hydrate (CHEBI:85974) has part edoxaban tosylate (CHEBI:85975)
edoxaban tosylate hydrate (CHEBI:85974) has role anticoagulant (CHEBI:50249)
edoxaban tosylate hydrate (CHEBI:85974) has role EC 3.4.21.6 (coagulation factor Xa) inhibitor (CHEBI:68581)
edoxaban tosylate hydrate (CHEBI:85974) has role platelet aggregation inhibitor (CHEBI:50427)
edoxaban tosylate hydrate (CHEBI:85974) is a hydrate (CHEBI:35505)
IUPAC Name 
4-methylbenzene-1-sulfonic acid—N1-(5-chloropyridin-2-yl)-N2-{(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)
Synonyms  Source
Edoxaban tosilate hydrateKEGG DRUG
Edoxaban tosylate monohydrateChemIDplus
edoxabanChEBI
Brand Names  Source
LIXIANAKEGG DRUG
SAVAYSAKEGG DRUG
Manual XrefsDatabases
D09546KEGG DRUG
EdoxabanWikipedia
Registry NumbersSources
CAS:1229194-11-9ChemIDplus
Citations