Products for Research Use Only
RegisterLogin

Edoxaban tosylate Monohydrate

CAT: 1568-C12569-01Size: 5 mgDry Ice: YesHazardous: No
Product image 1
1 / 1
CAT#:1568-C12569-01Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1229194-11-9
Synonyms
DU-176b
SKU
C12569-5mg
Target
Factor Xa
Applications
Metabolism
Smiles
CC1=CC=C (C=C1) S (=O) (=O) O.CN1CCC2=C (C1) SC (=N2) C (=O) NC3CC (CCC3NC (=O) C (=O) NC4=NC=C (C=C4) Cl) C (=O) N (C) C.O
Molecular Formula
C24H30ClN7O4S.C7H8O3S.H2O
Additionnal Information
Edoxaban (DU-176b) is a selective factor Xa inhibitor with Ki of 0.561 nM, >10 000-fold selectivity over thrombin and FIXa, and is also an orally bioavailable anticoagulant drug.
Storage Conditions
2 years -80 in solvent

Chemical Information

Edoxaban tosylate monohydrate

Edoxaban tosylate hydrate is a hydrate that is the monohydrate of the tosylate salt of edoxaban. Used for the treatment of deep vein thrombosis and pulmonary embolism. It has a role as an anticoagulant, a platelet aggregation inhibitor and an EC 3.4.21.6 (coagulation factor Xa) inhibitor. It contains an edoxaban tosylate.

CAS Number1229194-11-9
PubChem CID25022378
IUPAC NameN'-(5-chloro-2-pyridinyl)-N-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide;4-methylbenzenesulfonic acid;hydrate
Molecular FormulaC31H40ClN7O8S2
Molecular Weight738.3
Topological Polar Surface Area229
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Heavy Atom Count49
Formal Charge0
Complexity1090
SMILES
CC1=CC=C(C=C1)S(=O)(=O)O.CN1CCC2=C(C1)SC(=N2)C(=O)N[C@@H]3C[C@H](CC[C@@H]3NC(=O)C(=O)NC4=NC=C(C=C4)Cl)C(=O)N(C)C.O
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
Chemical Structure
2D Structure
2D structure of Edoxaban tosylate monohydrate
CAS: 1229194-11-9
CID: 25022378
Formula: C31H40ClN7O8S2
MW: 738.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight738.3
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Exact Mass737.2068313
Monoisotopic Mass737.2068313
Topological Polar Surface Area229 Ų
Heavy Atom Count49
Formal Charge0
Complexity1090
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

Related Products

CatalogName
C10134-25mgEdoxaban
C10134-01Edoxaban
C10134-5mgEdoxaban
C07461-1gSorafenib tosylate
C16587-100mgSuplatast Tosylate
C16587-10mM/1mLSuplatast Tosylate
C08341-5mgAllitinib tosylate
C16688-10mgAllitinib tosylate
C16688-50mgAllitinib tosylate
C16688-10mM/1mLAllitinib tosylate

Alternative Products

CatalogName
GTR19174984-01Edoxaban Tosylate Monohydrate
HY-10264B-01Edoxaban (tosylate monohydrate)
A14317-500Edoxaban (tosylate Monohydrate) 500mg
A14317-100Edoxaban (tosylate Monohydrate) 100mg
A14317-5Edoxaban (tosylate Monohydrate) 5mg
414002Edoxaban tosylate
HY-10264A-01Edoxaban (tosylate)

Popular Products