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Chemical structure of Lapaquistat

GC38457

Lapaquistat

Also known as 2-[1-[2-[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]piperidin-4-yl]acetic acid

Lapaquistat (T-91485), a cholesterol biosynthesis inhibitor, is the active metabolite of Lapaquistat acetate

ChemicalCAS189059-71-0MW603.1FormulaC31H39ClN2O8
CAS number
189059-71-0
Molecular weight
603.1
Formula
C31H39ClN2O8
Solubility
DMSO： 25 mg/mL (41·45 mM)
InChIKey
HDGUKVZPMPJBFK-LEAFIULHSA-N
Catalogue number
GC38457
Brand
GLPBIO
Computed properties PubChem CID 9960389 · XLogP 3.2 · TPSA 126 Ų · H-bond donors 2
XLogP
3.2
TPSA
126 Ų
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
10
Heavy atoms
42

SMILES CC(C)(CN1C2=C(C=C(C=C2)Cl)[C@H](O[C@@H](C1=O)CC(=O)N3CCC(CC3)CC(=O)O)C4=C(C(=CC=C4)OC)OC)CO

Computed descriptors from PubChem (CID 9960389), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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