Otamixaban HCl | CAS 409081-12-5 | AnyMole

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HIT212034121

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HIT212034121

HIT ID:HIT212034121
Cas No:409081-12-5
常用名:Otamixaban HCl
IUPAC:4-(4-{[(2R,3R)-3-[(3-carbamimidoylphenyl)methyl]-4-methoxy-4-oxobutan-2-yl]carbamoyl}phenyl)pyridin-1-ium-1-olate hydrochloride
IUPAC:4-(4-{[(2R,3R)-3-[(3-carbamimidoylphenyl)methyl]-4-methoxy-4-oxobutan-2-yl]carbamoyl}phenyl)pyridin-1-ium-1-olate hydrochloride
InChI key:ROKCPUOLRIBSQQ-BYYQELCVSA-N

分子式:C25H27ClN4O4
分子量:482.97
氢键供体数 (HBD):3
氢键受体数 (HBA):5
LogP:1.5362507
SMILES:Cl.COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1cc[n+]([O-])cc1
SMILES:Cl.COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1cc[n+]([O-])cc1

Otamixaban HCl is an experimental injectable anticoagulant direct factor Xa inhibitor, that was investigated for the treatment for acute coronary syndrome. In 2013, Sanofi announced that it had ended development of the drug candidate after poor performance in a Phase III clinical trial.

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