EDOXABAN TOSYLATE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 32W99UE810
EPA CompTox DTXSID10197399
Parent Compound: EDOXABAN

Structure

InChI Key ZLFZITWZOYXXAW-QXXZOGQOSA-N
Smiles CN1CCc2nc(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
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C31H38ClN7O7S2
Molecular Weight 720.27
AlogP 1.29
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 136.63
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 37.0

Pharmacology

Mechanism of Action Action Reference
Coagulation factor X inhibitor INHIBITOR FDA

Target Conservation

Protein: Coagulation factor X
Description: Coagulation factor X
Organism : Homo sapiens
P00742 ENSG00000126218

Cross References

Resources Reference
CAS NUMBER 480449-71-6
ChEBI 85975
ChEMBL CHEMBL2105682
FDA SRS 32W99UE810
PubChem 44610678
SureChEMBL SCHEMBL330918
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