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Edoxaban

CAT: 1299-RM-E042800-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-E042800-01Size:10 mg
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CAS Number
480449-70-5
Synonyms
N- (5-chloropyridin-2-yl) -N'-[ (1S,2R,4S) -4- (N, N-dimethylcarbamoyl) -2- (5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine-2-carboxamido) cyclohexyl]oxamide
Molecular Formula
C24H30ClN7O4S
Molecular Weight
548.06
Target Alternative Name
Edoxaban
Product Name Synonym
N- (5-chloropyridin-2-yl) -N'-[ (1S,2R,4S) -4- (N, N-dimethylcarbamoyl) -2- (5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine-2-carboxamido) cyclohexyl]oxamide

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
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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

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