Product Code
TRC-M208450
CAS Number
Product Format
Neat
Molecular Formula
C22 H31 N5 O4
Molecular Weight
429.51
API Family
MelagatranProduct Categories
TRC, Chiral Molecules , Anticoagulants, Enzyme agonists & antagonists, Enzyme inhibitors, API Reference Standards & Research Materials, Anticoagulants
Product Type
APIPurity
>95% (HPLC)
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Analyte Name
Melagatran
CAS Number
159776-70-2
Molecular Formula
C22 H31 N5 O4
Molecular Weight
429.51
Accurate Mass
429.2376
SMILES
NC(=N)c1ccc(CNC(=O)[C@@H]2CCN2C(=O)[C@H](NCC(=O)O)C3CCCCC3)cc1
InChI
InChI=1S/C22H31N5O4/c23-20(24)16-8-6-14(7-9-16)12-26-21(30)17-10-11-27(17)22(31)19(25-13-18(28)29)15-4-2-1-3-5-15/h6-9,15,17,19,25H,1-5,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t17-,19+/m0/s1
IUPAC
2-[[(1R)-2-[(2S)-2-[(4-carbamimidoylphenyl)methylcarbamoyl]azetidin-1-yl]-1-cyclohexyl-2-oxoethyl]amino]acetic acid
Storage Temperature
-20°C
Shipping Temperature
Dry Pack
Country of Origin
CANADA
Product Type
API
Product Format
Neat
API Family
Purity
>95% (HPLC)
Synthetic thrombin inhibitor. Thrombin mutant anticoagulant antagonist. Antithrombotic.
References: Dewanjee, M., et al.: J. Nucl. Med., 22, 981 (1981), Goodman, S., et al.: J. Biomed. Mater. Res., 45, 240 (1999), Carlsson, S., et al.: Thromb. Res., 115, 9 (2005),
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