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Edoxaban

CAT: 0607-A3381-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-A3381-10Size:10 mg
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Description
Factor Xa inhibitor
CAS Number
480449-70-5
Product Name Alternative
N'-(5-chloropyridin-2-yl)-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
Sequence
DU-176
Field of Research
Proteases Thrombin
Purity
0.9927
Form
A solid
Solubility
≥27.3 mg/mL in DMSO; insoluble in EtOH; insoluble in H2O
Smiles
CN1CCC2=C(C1)SC(=N2)C(=O)NC3CC(CCC3NC(=O)C(=O)NC4=NC=C(C=C4)Cl)C(=O)N(C)C
Molecular Formula
C24H30ClN7O4S
Molecular Weight
548.06
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Edoxaban

Edoxaban is a monocarboxylic acid amide that is used (as its tosylate monohydrate) 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 is a monocarboxylic acid amide, a chloropyridine, a thiazolopyridine and a tertiary amino compound. It is a conjugate base of an edoxaban(1+).

CAS Number480449-70-5
PubChem CID10280735
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
Molecular FormulaC24H30ClN7O4S
Molecular Weight548.1
XLogP1.4
Topological Polar Surface Area165
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count37
Formal Charge0
Complexity880
SMILES
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
InChI
InChI=1S/C24H30ClN7O4S/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/h5,7,11,13,15,17H,4,6,8-10,12H2,1-3H3,(H,27,33)(H,28,35)(H,26,30,34)/t13-,15-,17+/m0/s1
InChIKey
HGVDHZBSSITLCT-JLJPHGGASA-N
Chemical Structure
2D Structure
2D structure of Edoxaban
CAS: 480449-70-5
CID: 10280735
Formula: C24H30ClN7O4S
MW: 548.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight548.1
XLogP31.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass547.1768513
Monoisotopic Mass547.1768513
Topological Polar Surface Area165 Ų
Heavy Atom Count37
Formal Charge0
Complexity880
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-10264-01Edoxaban
TRC-E555522-5MGEdoxaban-d6
TRC-E480890-100MG(4S)-Edoxaban

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