Dabigatran

CAS Registry Number®

211914-51-1

CAS Name

Dabigatran

Molecular Formula

C25H25N7O3

Molecular Mass

471.51

Cite this Page

Dabigatran.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=211914-51-1 (retrieved 2024-11-21) (CAS RN: 211914-51-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    276-277 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C25H25N7O3/c1-31-20-10-7-17(25(35)32(13-11-23(33)34)21-4-2-3-12-28-21)14-19(20)30-22(31)15-29-18-8-5-16(6-9-18)24(26)27/h2-10,12,14,29H,11,13,15H2,1H3,(H3,26,27)(H,33,34)

InChIKey

InChIKey=YBSJFWOBGCMAKL-UHFFFAOYSA-N

SMILES

CN1C=2C(=CC(C(N(CCC(O)=O)C3=CC=CC=N3)=O)=CC2)N=C1CNC4=CC=C(C(=N)N)C=C4

Canonical SMILES

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

Other Names for this Substance

  • β-Alanine, N-[[2-[[[4-(aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-
  • N-[[2-[[[4-(Aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-β-alanine
  • Dabigatran
  • BIBR 953
  • BIBR 953ZW

CAS INSIGHTSTM
Targeted protein degrader structure, illustration