Ximelagatran-d11

CAS: 192939-46-1

Ref. TR-X745002

Product Information

• Name: Ximelagatran-d11
• Synonyms: N-[(1R)-1-(Cyclohexyl-d11)-2-[(2S)-2-[[[[4-[(hydroxyamino)iminomethyl]phenyl]methyl]amino]carbonyl]-1-azetidinyl]-2-oxoethyl]glycine Ethyl Ester, Exanta-d11, H 376/95-d11, Exanta/Ximelegatran, Glycine, N-[(1R)-1-cyclohexyl-2-[(2S)-2-[[[[4-[(hydroxyamino)iminomethyl]phenyl]methyl]amino]carbonyl]-1-azetidinyl]-2-oxoethyl]-, ethyl ester, H 376/95, N-[(1R)-1-Cyclohexyl-2-[(2S)-2-[[[[4-[(hydroxyamino)iminomethyl]phenyl]methyl]amino]carbonyl]-1-azetidinyl]-2-oxoethyl]glycine Ethyl Ester, Ximelagatran, Ximelegatran, ethyl N-{(1R)-1-cyclohexyl-2-[(2S)-2-{[4-(N'-hydroxycarbamimidoyl)benzyl]carbamoyl}azetidin-1-yl]-2-oxoethyl}glycinate
• CAS: 192939-46-1

Description

Stability Hygroscopic
Applications An orally active direct thrombin inhibitor; prodrug of Melagatran. Antithrombotic.
References Owens, P.K., et al.: J. Pharm. Biomed. Anal., 27, 587 (2002), Kalus, J.S., et al.: Expert Opin. Invest. Drugs, 13, 465 (2004), Boos, C.J., et al.: Eur. J. Int. Med., 16, 267 (2005), Cullberg, M., et al.: Clin. Pharmacol. Ther., 77, 279 (2005),

• Brand: TRC

Chemical properties

• Molecular weight: 484.63
• Formula: C₂₄H₂₄D₁₁N₅O₅
• Color/Form: Neat
• InChI: InChI=1S/C24H35N5O5/c1-2-34-20(30)15-26-21(17-6-4-3-5-7-17)24(32)29-13-12-19(29)23(31)27-14-16-8-10-18(11-9-16)22(25)28-33/h8-11,17,19,21,26,33H,2-7,12-15H2,1H3,(H2,25,28)(H,27,31)/t19-,21+/m0/s1/i3D2,4D2,5D2,6D2,7D2,17D
• InChI key: InChIKey=ZXIBCJHYVWYIKI-GLJPWUSYSA-N
• SMILES: [2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])([C@@H](NCC(=O)OCC)C(=O)N2CC[C@H]2C(=O)NCc2ccc(C(=N)NO)cc2)C([2H])([2H])C1([2H])[2H]