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Chemical structure of Betrixaban maleate

GC25137

Betrixaban maleate

Also known as (Z)-but-2-enedioic acid;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-methoxybenzamide

Betrixaban maleate is the maleate salt form of Betrixaban, which is a Factor Xa inhibitor that decreases prothrombinase activity and thrombin generation

ChemicalCAS936539-80-9MW567.98FormulaC23H22ClN5O3·C4H4O4
CAS number
936539-80-9
Molecular weight
567.98
Formula
C23H22ClN5O3·C4H4O4
Solubility
DMSO： 100 mg/mL (176·06 mM);Water： 1 mg/mL (1·76 mM);Ethanol： Insoluble
InChIKey
DTSJEZCXVWQKCL-BTJKTKAUSA-N
Catalogue number
GC25137
Brand
GLPBIO
Computed properties PubChem CID 16069304 · TPSA 182 Ų · H-bond donors 5 · H-bond acceptors 9
TPSA
182 Ų
H-bond donors
5
H-bond acceptors
9
Rotatable bonds
9
Heavy atoms
40

SMILES CN(C)C(=N)C1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)OC)C(=O)NC3=NC=C(C=C3)Cl.C(=C\C(=O)O)\C(=O)O

Computed descriptors from PubChem (CID 16069304), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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