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Chemical structure of Acebilustat

GC19018

Acebilustat

Also known as 4-[[(1S,4S)-5-[[4-[4-(1,3-oxazol-2-yl)phenoxy]phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid

Acebilustat is a leukotriene A4 hydrolase inhibitor, used for an oral antiinflammatory drug

ChemicalCAS943764-99-6MW481.54FormulaC29H27N3O4
CAS number
943764-99-6
Molecular weight
481.54
Formula
C29H27N3O4
Solubility
DMSO ： 16·67 mg/mL (34·62 mM)
InChIKey
GERJIEKMNDGSCS-DQEYMECFSA-N
Catalogue number
GC19018
Brand
GLPBIO
Computed properties PubChem CID 68488178 · XLogP 2.2 · TPSA 79 Ų · H-bond donors 1
XLogP
2.2
TPSA
79 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
36

SMILES C1[C@H]2CN([C@@H]1CN2CC3=CC=C(C=C3)OC4=CC=C(C=C4)C5=NC=CO5)CC6=CC=C(C=C6)C(=O)O

Computed descriptors from PubChem (CID 68488178), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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