Dabigatran etexilate

For Research Use Only.
Category
Impurities
Cat.No.
NP3527
CAS
211915-06-9
Product Name
Dabigatran etexilate
Structure

Product Details

Description
Dabigatran etexilate(BIBR-1048) is the orally active prodrug of dabigatran; Dabigatran is a reversible and selective, direct thrombin inhibitor (DTI) with Ki value of 4.5 nM.
Synonyms
Prazaxa; BIBR 1048; BIBR-1048
IUPAC Name
ethyl 3-[[2-[[4-(N-hexoxycarbonylcarbamimidoyl)anilino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate
Molecular Weight
627.75
Molecular Formula
C34H41N7O5
Canonical SMILES
CCCCCCOC(=O)N=C(C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4)N
InChI
InChI=1S/C34H41N7O5/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/h8-9,11-17,19,22,37H,4-7,10,18,20-21,23H2,1-3H3,(H2,35,39,44)
InChIKey
KSGXQBZTULBEEQ-UHFFFAOYSA-N
Melting Point
127-130°C
Purity
99%
Solubility
1.8mg/ml, partly soluble
Appearance
White Solid
Application
Antithrombins
Storage
2 - 8 °C
Packaging
1 g
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