Melagatran-d11

Product Specifications

Synonyms

N-[(1R)-2-[(2S)-2-[[[[4-(Aminoiminomethyl)phenyl]methyl]amino]carbonyl]-1-azetidinyl]-1-cyclohexyl-2-oxoethyl]glycine-d11; H-319/68-d11;

Hazard Statement

Causes skin irritation.

Smiles

[2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])([C@@H](NCC(=O)O)C(=O)N2CC[C@H]2C(=O)NCc3ccc(cc3)C(=N)N)C([2H])([2H])C1([2H])[2H]

Molecular Formula

C22 D11 H20 N5 O4

Molecular Weight

440.58

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

Additionnal Information

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