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(2S,3S,5S)-2-Hexyl-3,5-dihydroxyhexadecanoic Acid-[d13]

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General Information
Catalog: BLP-006126
CAS: 1217806-00-2
Molecular Formula: C22H31D13O4
Molecular Weight: 385.66

Chemical Structure

Description	(2S,3S,5S)-2-Hexyl-3,5-dihydroxyhexadecanoic Acid-[d13] is the labelled analogue of (2S,3S,5S)-2-Hexyl-3,5-dihydroxyhexadecanoic Acid, which is an impurity of Orlistat. Orlistat is a pancreatic lipase inhibitor. It is commonly used as a weight loss agent.
Synonyms	(2S,3S,5S)-2-Hexyl-3,5-dihydroxyhexadecanoic Acid-d13; [2S-(2R,3R,5R*)]-2-Hexyl-3,5-dihydroxyhexadecanoic Acid-d13; Orlistat impurity M3-d13
IUPAC Name	(2S,3S,5S)-3,5-dihydroxy-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecadeuteriohexyl)hexadecanoic acid
Related CAS	130793-30-5 (unlabelled)
Canonical SMILES	CCCCCCCCCCCC(CC(C(CCCCCC)C(=O)O)O)O
InChI	InChI=1S/C22H44O4/c1-3-5-7-9-10-11-12-13-14-16-19(23)18-21(24)20(22(25)26)17-15-8-6-4-2/h19-21,23-24H,3-18H2,1-2H3,(H,25,26)/t19-,20-,21-/m0/s1/i2D3,4D2,6D2,8D2,15D2,17D2
InChI Key	NIMYTNQMVAFHGS-QKGPRPOGSA-N
Solubility	Soluble in Chloroform
Appearance	Off-white Solid
Storage	Store at -20°C under inert atmosphere