CHEBI:85974 - edoxaban tosylate hydrate

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ChEBI Name edoxaban tosylate hydrate
ChEBI ID CHEBI:85974
Definition A hydrate that is the monohydrate of the tosylate salt of edoxaban. Used 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 C31H40ClN7O8S2
Net Charge 0
Average Mass 738.27400
Monoisotopic Mass 737.20683
InChI 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
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
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
edoxaban ChEBI
Edoxaban tosilate hydrate KEGG DRUG
Edoxaban tosylate monohydrate ChemIDplus
Brand Names Sources
LIXIANA KEGG DRUG
SAVAYSA KEGG DRUG
Manual Xrefs Databases
D09546 KEGG DRUG
Edoxaban Wikipedia
View more database links
Registry Number Type Source
1229194-11-9 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
25179572 PubMed citation Europe PMC
25336863 PubMed citation Europe PMC
25853577 PubMed citation Europe PMC
25855704 PubMed citation Europe PMC
Last Modified
09 June 2015