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130676-66-3

130676-66-3 Structure

130676-66-3 Structure
IdentificationBack Directory
[Name]

(2S,3S,5S)-5-[(N-Formyl-L-leucyl)oxy]-2-hexyl-3-hydroxyhexadecanoic Acid (Orlistat Impurity)
[CAS]

130676-66-3
[Synonyms]

Orlistat IMpurity M1
Orlistat Open Ring Impurity (2S,3S,5S)-Isomer
(S)-3-Hexyl-5,6-dihydro-6-undecyl-2H-pyran-2-one
(2S,3S,5S)-5-[(N-Formyl-L-leucyl)oxy]-2-hexyl-3-hydroxyhexadecanoic Acid
N-Formyl-L-leucine (1S)-1-[(2S,3S)-3-carboxy-2-hydroxynonyl]dodecyl Ester
[2R-[1(S*),2R*,3S*]]- N-Formyl-L-Leucine 1-[3-Carboxy-2-hydroxynonyl]dodecyl Ester
(2S,3S,5S)-5-[(N-Formyl-L-leucyl)oxy]-2-hexyl-3-hydroxyhexadecanoic Acid (Orlistat Impurity)
[Molecular Formula]

C29H55NO6
[MDL Number]

MFCD12407133
[MOL File]

130676-66-3.mol
[Molecular Weight]

513.75
Chemical PropertiesBack Directory
[Appearance]

Clear Light Yellow Viscous Oil
[Melting point ]

50-54°C
[Boiling point ]

645.8±55.0 °C(Predicted)
[density ]

1.005±0.06 g/cm3(Predicted)
[storage temp. ]

-86°C Freezer, Under Inert Atmosphere
[solubility ]

Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly, Sonicated)
[form ]

Solid
[pka]

4.37±0.50(Predicted)
[color ]

White to Off-White
[Stability:]

Solutions are unstable
[InChIKey]

FKUNIADJSAJLGB-FWEHEUNISA-N
[SMILES]

C(O[C@H](C[C@H](O)[C@@H](C(O)=O)CCCCCC)CCCCCCCCCCC)(=O)[C@H](CC(C)C)NC=O
[CAS DataBase Reference]

130676-66-3
Hazard InformationBack Directory
[Chemical Properties]

Clear Light Yellow Viscous Oil
[Uses]

A degradation product of Tetrahydrolipstatin (Orlistat). Orlistat impurity
[Uses]

A metabolite of Orlistat (O686500).
[Uses]

A product from thermal and hydrolytic degradation of Orlistat. Orlistat impurity
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