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Chemical structure of Orlistat

GC17318

Orlistat

Also known as [(2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-2-yl] (2S)-2-formamido-4-methylpentanoate

Orlistat is an irreversible inhibitor of lipases in the pancreas and stomach

ChemicalCAS96829-58-2MW495.73FormulaC29H53NO5
CAS number
96829-58-2
Molecular weight
495.73
Formula
C29H53NO5
Solubility
≥ 17·4mg/mL in DMSO
InChIKey
AHLBNYSZXLDEJQ-FWEHEUNISA-N
Catalogue number
GC17318
Brand
GLPBIO
Computed properties PubChem CID 3034010 · XLogP 10 · TPSA 81.7 Ų · H-bond donors 1
XLogP
10
TPSA
81.7 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
23
Heavy atoms
35

SMILES CCCCCCCCCCC[C@@H](C[C@H]1[C@@H](C(=O)O1)CCCCCC)OC(=O)[C@H](CC(C)C)NC=O

Computed descriptors from PubChem (CID 3034010), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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