Name: N-Hydroxy Melagatran-[d11]
Brand: BOC Sciences
Rating: 5 (1 reviews)

General Information

Catalog: BLP-005013

Molecular Formula: C22H20D11N5O5

Molecular Weight: 456.58

Chemical Structure

Description	N-Hydroxy Melagatran-[d11] is the labelled analogue of N-Hydroxy Melagatran, which is a prodrug and an intermediate in the preparation of Melagatran.
Synonyms	N-Hydroxy Melagatran D11; N-[(1R)-1-Cyclohexyl-2-[(2S)-2-[[[[4-[(hydroxyamino)iminomethyl]phenyl]methyl]amino]carbonyl]-1-azetidinyl]-2-oxoethyl]glycine-d11; Melagatran Hydroxyamidine-d11
IUPAC Name	2-[[(1R)-2-[(2S)-2-[[4-(N'-hydroxycarbamimidoyl)phenyl]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	192939-72-3 (unlabelled)
Canonical SMILES	C1CCC(CC1)C(C(=O)N2CCC2C(=O)NCC3=CC=C(C=C3)C(=NO)N)NCC(=O)O
InChI	InChI=1S/C22H31N5O5/c23-20(26-32)16-8-6-14(7-9-16)12-25-21(30)17-10-11-27(17)22(31)19(24-13-18(28)29)15-4-2-1-3-5-15/h6-9,15,17,19,24,32H,1-5,10-13H2,(H2,23,26)(H,25,30)(H,28,29)/t17-,19+/m0/s1/i1D2,2D2,3D2,4D2,5D2,15D
InChI Key	NIPUHXUEGZHFLD-BXLRSMTBSA-N
Purity	>98%
Solubility	Soluble in DMSO
Appearance	White Solid
Storage	Store at 2-8°C under inert atmosphere