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Product Overview

Product Code

TRC-O686490

CAS Number

111466-62-7

Product Format

Neat

Molecular Formula

C29 H53 N O5

Molecular Weight

495.73

API Family

Orlistat

Product Categories

Bioactive small molecules, Impurity Reference Materials , TRC, API Reference Standards & Research Materials

Product Type

Impurity, API

Documentation

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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

Orlistat

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