CHEBI:85975 - edoxaban tosylate

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ChEBI Name edoxaban tosylate
ChEBI ID CHEBI:85975
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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C31H38ClN7O7S2
Net Charge 0
Average Mass 720.25900
Monoisotopic Mass 719.19627
InChI 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
Roles Classification
Biological Role(s): 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).
Application(s): 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.
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ChEBI Ontology
Outgoing 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 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 Sources
DU 176b ChemIDplus
DU-176b ChemIDplus
edoxaban 4-toluenesulfonate ChEBI
edoxaban monotosylate ChEBI
edoxaban p-toluenesulfonate ChEBI
Edoxaban tosilate ChemIDplus
Manual Xref Database
Edoxaban Wikipedia
View more database links
Registry Numbers Types Sources
11410837 Reaxys Registry Number Reaxys
480449-71-6 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
21446778 PubMed citation Europe PMC
24459178 PubMed citation Europe PMC
25179572 PubMed citation Europe PMC
25374671 PubMed citation Europe PMC
25404858 PubMed citation Europe PMC
25855704 PubMed citation Europe PMC
Last Modified
09 June 2015