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Alvimopan-[d5]

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General Information
Catalog: BLP-011555
CAS: 1217616-62-0
Molecular Formula: C25H27D5N2O4
Molecular Weight: 429.56

Chemical Structure

Description	Alvimopan-[d5] is the labelled analogue of Alvimopan. Alvimopan is a µ-opioid receptor antagonist with limited activity of µ-opioid receptor in the central nervous system. It is indicated for postoperative ileus.
Synonyms	Alvimopan-d5; rac-N-[2-[[4-(3-Hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]methyl]-1-oxo-3-(phenyl-d5)propyl]glycine; ADL 8-2698-d5; LY 246736-d5; Entereg-d5
IUPAC Name	2-[[(2S)-2-[[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]methyl]-3-(2,3,4,5,6-pentadeuteriophenyl)propanoyl]amino]acetic acid
Related CAS	156053-89-3 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1[2H])[2H])C[C@@H](CN2CC[C@@]([C@H](C2)C)(C)C3=CC(=CC=C3)O)C(=O)NCC(=O)O)[2H])[2H]
Canonical SMILES	CC1CN(CCC1(C)C2=CC(=CC=C2)O)CC(CC3=CC=CC=C3)C(=O)NCC(=O)O
InChI	InChI=1S/C25H32N2O4/c1-18-16-27(12-11-25(18,2)21-9-6-10-22(28)14-21)17-20(24(31)26-15-23(29)30)13-19-7-4-3-5-8-19/h3-10,14,18,20,28H,11-13,15-17H2,1-2H3,(H,26,31)(H,29,30)/t18-,20-,25+/m0/s1/i3D,4D,5D,7D,8D
InChI Key	UPNUIXSCZBYVBB-GAGGCGQMSA-N
Purity	>95%
Solubility	Soluble in DMSO (Slightly), Methanol (Slightly, Sonicated, Heated)
Appearance	White Solid
Storage	Store at 2-8°C