Dabigatran ethyl ester tosylate

CAS Registry Number®

872728-85-3
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CAS Name

Dabigatran ethyl ester tosylate

Molecular Formula

C27H29N7O3.C7H8O3S

Cite this Page

Dabigatran ethyl ester tosylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=872728-85-3 (retrieved 2024-08-22) (CAS RN: 872728-85-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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)

InChIKey

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

Canonical SMILES

O=C(OCC)CCN(C(=O)C=1C=CC2=C(N=C(N2C)CNC3=CC=C(C=C3)C(=N)N)C1)C4=NC=CC=C4.O=S(=O)(O)C1=CC=C(C=C1)C

Other Names for this Substance

  • 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)
  • Dabigatran ethyl ester tosylate
  • 1-Methyl-2-[N-(4-amidinophenyl)aminomethyl]benzimidazole-5-carboxylic acid N-(2-pyridyl)-N-[2-(ethoxycarbonyl)ethyl]amide tosylate
  • N-[2-(Ethoxycarbonyl)ethyl]-N-(2-pyridyl)-1-methyl-2-[N-(4-amidinophenyl)aminomethyl]benzimidazole-5-carboxamide tosylate