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1-((2R)-2-Amino-2-cyclohexylacetyl)-N-(4'-cyanobenzyl)-2-L-azetidinecarboxamide-[d11]

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General Information
Catalog: BLP-006340
CAS: 1356930-51-2
Molecular Formula: C20H15D11N4O2
Molecular Weight: 365.51

Chemical Structure

Description	1-((2R)-2-Amino-2-cyclohexylacetyl)-N-(4'-cyanobenzyl)-2-L-azetidinecarboxamide-[d11] is the labelled analogue of 1-((2R)-2-Amino-2-cyclohexylacetyl)-N-(4'-cyanobenzyl)-2-L-azetidinecarboxamide, which is an intermediate in the preparation of Ximelagatran.
Synonyms	1-((2R)-2-Amino-2-cyclohexylacetyl)-N-(4'-cyanobenzyl)-2-L-azetidinecarboxamide-d11
IUPAC Name	(2S)-1-[(2R)-2-amino-2-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)acetyl]-N-[(4-cyanophenyl)methyl]azetidine-2-carboxamide
Related CAS	1356010-93-9 (unlabelled)
Canonical SMILES	C1CCC(CC1)C(C(=O)N2CCC2C(=O)NCC3=CC=C(C=C3)C#N)N
InChI	InChI=1S/C20H26N4O2/c21-12-14-6-8-15(9-7-14)13-23-19(25)17-10-11-24(17)20(26)18(22)16-4-2-1-3-5-16/h6-9,16-18H,1-5,10-11,13,22H2,(H,23,25)/t17-,18+/m0/s1/i1D2,2D2,3D2,4D2,5D2,16D
InChI Key	KSXWQVQZPDROFY-FLLCJUDPSA-N
Purity	≥98%
Solubility	Soluble in Acetone, Chloroform, Dichloromethane, Ethyl Acetate, Methanol
Appearance	Pale Brown Oily Matter
Storage	Store at -20°C under inert atmosphere