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Product Information
Chemical Data
Analyte Name
(S,S,R,R)-Orlistat
CAS Number
111466-62-7
Molecular Formula
C29 H53 N O5
Molecular Weight
495.73
Accurate Mass
495.3924
SMILES
CCCCCCCCCCC[C@@H](C[C@H]1OC(=O)[C@@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O
InChI
InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25+,26-,27+/m0/s1
IUPAC
[(1S)-1-[[(2R,3R)-3-hexyl-4-oxo-oxetan-2-yl]methyl]dodecyl] (2S)-2-formamido-4-methyl-pentanoate
Product Data
Storage Temperature
-86°C
Shipping Temperature
Dry ice
Country of Origin
CANADA
Product Type
Impurity
Product Format
Neat
API Family