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CHEBI:85975 - edoxaban tosylate

ChEBI IDCHEBI:85975
ChEBI Nameedoxaban tosylate
Stars
DefinitionAn 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.
Last Modified9 June 2015
SubmitterSteve
DownloadsMolfile
FormulaC24H30ClN7O4S.C7H8O3S
Net Charge0
Average Mass720.274
Monoisotopic Mass719.19627
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
InChIInChI=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
InChIKeyZLFZITWZOYXXAW-QXXZOGQOSA-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:
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.
anticoagulant  An agent that prevents blood clotting.
ChEBI Ontology
Outgoing Relation(s)
edoxaban tosylate (CHEBI:85975) has part edoxaban(1+) (CHEBI:85976)
edoxaban tosylate (CHEBI:85975) has role anticoagulant (CHEBI:50249)
edoxaban tosylate (CHEBI:85975) has role EC 3.4.21.6 (coagulation factor Xa) inhibitor (CHEBI:68581)
edoxaban tosylate (CHEBI:85975) has role platelet aggregation inhibitor (CHEBI:50427)
edoxaban tosylate (CHEBI:85975) is a organosulfonate salt (CHEBI:64382)
Incoming Relation(s)
edoxaban tosylate hydrate (CHEBI:85974) has part edoxaban tosylate (CHEBI:85975)
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 (1/1)
Synonyms  Source
edoxaban 4-toluenesulfonateChEBI
DU 176bChemIDplus
Edoxaban tosilateChemIDplus
DU-176bChemIDplus
edoxaban monotosylateChEBI
edoxaban p-toluenesulfonateChEBI
Manual XrefsDatabases
EdoxabanWikipedia
Registry NumbersSources
Reaxys:11410837Reaxys
CAS:480449-71-6ChemIDplus
Citations