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Product Overview

Product Code

TRC-D100150

CAS Number

872728-81-9

Product Format

Neat

Molecular Formula

C34 H41 N7 O5 . C H4 O3 S

Molecular Weight

723.84

API Family

Dabigatran Etexilate Mesylate, Dabigatran Etexilate Mesilate

Product Categories

Enzyme inhibitors, API Reference Standards & Research Materials, TRC, Pharmaceutical Toxicology Reference Materials

Product Type

API

Alternate CAS Number

Free base: 211915-06-9

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

Dabigatran Etexilate Mesylate

CAS Number

872728-81-9

Molecular Formula

C34 H41 N7 O5 . C H4 O3 S

Molecular Weight

723.84

Accurate Mass

723.305

SMILES

CCCCCCOC(=O)NC(=N)c1ccc(NCc2nc3cc(ccc3n2C)C(=O)N(CCC(=O)OCC)c4ccccn4)cc1.CS(=O)(=O)O

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)

IUPAC

ethyl 3-[[2-[[4-(N-hexoxycarbonylcarbamimidoyl)anilino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate;methanesulfonic acid

Alternate CAS Number

Free base: 211915-06-9

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat

API Family

Dabigatran Etexilate Mesylate; Dabigatran Etexilate Mesilate

Purity

>95% (HPLC)

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