Dabigatran etexilate mesylate

CAS Registry Number®

872728-81-9

CAS Name

Dabigatran etexilate mesylate

Molecular Formula

C34H41N7O5.CH4O3S

Cite this Page

Dabigatran etexilate mesylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=872728-81-9 (retrieved 2024-11-22) (CAS RN: 872728-81-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C34H41N7O5.CH4O3S/c1-4-6-7-10-21-46-34(44)39-32(35)24-12-15-26(16-13-24)37-23-30-38-27-22-25(14-17-28(27)40(30)3)33(43)41(20-18-31(42)45-5-2)29-11-8-9-19-36-29;1-5(2,3)4/h8-9,11-17,19,22,37H,4-7,10,18,20-21,23H2,1-3H3,(H2,35,39,44);1H3,(H,2,3,4)

InChIKey

InChIKey=XETBXHPXHHOLOE-UHFFFAOYSA-N

SMILES

CN1C=2C(=CC(C(N(CCC(OCC)=O)C3=CC=CC=N3)=O)=CC2)N=C1CNC4=CC=C(C(NC(OCCCCCC)=O)=N)C=C4.S(C)(=O)(=O)O

Canonical SMILES

O=C(OCCCCCC)NC(=N)C1=CC=C(C=C1)NCC2=NC=3C=C(C=CC3N2C)C(=O)N(C4=NC=CC=C4)CCC(=O)OCC.O=S(=O)(O)C

Other Names for this Substance

  • β-Alanine, N-[[2-[[[4-[[[(hexyloxy)carbonyl]amino]iminomethyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-, ethyl ester, methanesulfonate (1:1)
  • β-Alanine, N-[[2-[[[4-[[[(hexyloxy)carbonyl]amino]iminomethyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-, ethyl ester, monomethanesulfonate
  • Pradaxa
  • BIBR 1048MS
  • Dabigatran etexilate mesylate

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Deleted or Replaced CAS Registry Numbers

593282-20-3

CAS INSIGHTSTM
Targeted protein degrader structure, illustration