(2S,3S,5S)-5-[(N-Formyl-L-leucyl)oxy]-2-hexyl-3-hydroxyhexadecanoic Acid (Orlistat Impurity) (>80%)
Product Code
TRC-F700600
CAS Number
Product Format
Neat
Molecular Formula
C29 H55 N O6
Molecular Weight
513.75
API Family
OrlistatProduct Categories
TRC, Additional pharmaceutical toxicology reference materials, Additional TDM reference materials, Impurity Reference Materials , Additional pharmaceutical toxicology research materials
Product Type
MetaboliteDocumentation
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Product Information
Chemical Data
Analyte Name
(2S,3S,5S)-5-[(N-Formyl-L-leucyl)oxy]-2-hexyl-3-hydroxyhexadecanoic acid
CAS Number
130676-66-3
Molecular Formula
C29 H55 N O6
Molecular Weight
513.75
Accurate Mass
513.4029
SMILES
CCCCCCCCCCC[C@@H](C[C@H](O)[C@H](CCCCCC)C(=O)O)OC(=O)[C@H](CC(C)C)NC=O
InChI
InChI=1S/C29H55NO6/c1-5-7-9-11-12-13-14-15-16-18-24(36-29(35)26(30-22-31)20-23(3)4)21-27(32)25(28(33)34)19-17-10-8-6-2/h22-27,32H,5-21H2,1-4H3,(H,30,31)(H,33,34)/t24-,25-,26-,27-/m0/s1
IUPAC
(2S,3S,5S)-5-[(2S)-2-formamido-4-methylpentanoyl]oxy-2-hexyl-3-hydroxyhexadecanoic acid
Product Data
Storage Temperature
-86°C
Shipping Temperature
Dry ice
Country of Origin
CANADA
Product Type
Metabolite
Product Format
Neat
API Family
Product Description
A metabolite of Orlistat (O686500).
References: Stalder, H., et al.:
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