BGC > Product Search > Dabigatran | 211914-51-1

Molecular Formula: C25H25N7O3
Molecular Weight: 471.5111
Hazard Symbols: F,Xn
UN Number: UN 1648 3 / PGII
WGKGermany: 2

Description:
Dabigatran is a very potent anticoagulant, shows that the terminal phenyl can be substituted by the more hydrophilic 2-pyridyl group without substantial loss of activity.

• Molecular Weight:471.51
• Melting Point:263-268°C (dec.)
• Purity:>98%

Molecular Formula:
C25H25N7O3
Canonical SMILES:
CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)O)C3=CC=CC=N3)N=C1CNC4=CC=C(C=C4)C(=N)N
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:
YBSJFWOBGCMAKL-UHFFFAOYSA-N
Appearance:
White to Off-White Solid
Application:
Benzimidazoles; beta-alanine/analogs & derivatives
Synonyms:
BIBR 953; BIBR953; BIBR-953

Purity: 98%
Smile code: O=C(O)CCN(C(C1=CC=C2C(N=C(CNC3=CC=C(C(N)=N)C=C3)N2C)=C1)=O)C4=NC=CC=C4
MDL Number: MFCD09837830
MolFormula: C25H25N7O3
MolWeight: 471.5111
Available in stock: 73.566

Smile code:
O=C(O)CCN(C(C1=CC=C2C(N=C(CNC3=CC=C(C(N)=N)C=C3)N2C)=C1)=O)C4=NC=CC=C4
MDL Number:
MFCD09837830
Purity :
98%
Available in stock:
63.049 g