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Melagatran-[d11]

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General Information
Catalog: BLP-004665
Molecular Formula: C22H20D11N5O4
Molecular Weight: 440.58

Chemical Structure

Description	Melagatran-[d11] is the labelled analogue of Melagatran, which is an anticoagulant, an EC 3.4.21.5 (thrombin) inhibitor and a serine protease inhibitor.
Synonyms	Melagatran D11; N-[(1R)-2-[(2S)-2-[[[[4-(Aminoiminomethyl)phenyl]methyl]amino]carbonyl]-1-azetidinyl]-1-cyclohexyl-2-oxoethyl]glycine-d11
IUPAC Name	2-[[(1R)-2-[(2S)-2-[(4-carbamimidoylphenyl)methylcarbamoyl]azetidin-1-yl]-2-oxo-1-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)ethyl]amino]acetic acid
Related CAS	159776-70-2 (unlabelled)
Canonical SMILES	C1CCC(CC1)C(C(=O)N2CCC2C(=O)NCC3=CC=C(C=C3)C(=N)N)NCC(=O)O
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/i1D2,2D2,3D2,4D2,5D2,15D
InChI Key	DKWNMCUOEDMMIN-BXLRSMTBSA-N
Melting Point	180-186°C
Purity	≥98%
Solubility	Soluble in DMSO, Methanol
Appearance	White to Off-white Solid
Storage	Store at -20°C under inert atmosphere