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CAS 872728-85-3

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Dabigatran ethyl ester tosylate

Description:
Dabigatran ethyl ester tosylate is a chemical compound that serves as a prodrug for dabigatran, an anticoagulant medication used to prevent and treat thromboembolic disorders. It is characterized by its ability to inhibit thrombin, an enzyme critical in the coagulation cascade, thereby reducing the formation of blood clots. The compound is typically presented as a white to off-white solid and is soluble in organic solvents, which facilitates its absorption and conversion to the active form in the body. Its molecular structure includes an ethyl ester group and a tosylate moiety, contributing to its pharmacokinetic properties. Dabigatran ethyl ester tosylate is administered orally and is known for its predictable pharmacological profile, which allows for fixed dosing without the need for routine monitoring of coagulation parameters. Safety and efficacy have been established through clinical trials, making it a valuable option in anticoagulation therapy. As with any medication, potential side effects and contraindications should be considered, and it is essential to follow medical guidance when using this compound.
Formula:C27H29N7O3·C7H8O3S
InChI:InChI=1S/C27H29N7O3.C7H8O3S/c1-3-37-25(35)13-15-34(23-6-4-5-14-30-23)27(36)19-9-12-22-21(16-19)32-24(33(22)2)17-31-20-10-7-18(8-11-20)26(28)29;1-6-2-4-7(5-3-6)11(8,9)10/h4-12,14,16,31H,3,13,15,17H2,1-2H3,(H3,28,29);2-5H,1H3,(H,8,9,10)
InChI key:InChIKey=WENRCCRZLDFCGF-UHFFFAOYSA-N
SMILES:CN1C=2C(=CC(C(N(CCC(OCC)=O)C3=CC=CC=N3)=O)=CC2)N=C1CNC4=CC=C(C(=N)N)C=C4.S(=O)(=O)(O)C1=CC=C(C)C=C1
Synonyms:
  • Dabigatran ethyl ester tosylate
  • 1-Methyl-2-[N-(4-amidinophenyl)aminomethyl]benzimidazole-5-carboxylic acid N-(2-pyridyl)-N-[2-(ethoxycarbonyl)ethyl]amide tosylate
  • β-Alanine, N-[[2-[[[4-(aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-, ethyl ester, 4-methylbenzenesulfonate (1:1)
  • β-Alanine, N-[[2-[[[4-(aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-, ethyl ester, mono(4-methylbenzenesulfonate)
  • N-[2-(Ethoxycarbonyl)ethyl]-N-(2-pyridyl)-1-methyl-2-[N-(4-amidinophenyl)aminomethyl]benzimidazole-5-carboxamide tosylate
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