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Chemical structure of Dyclonine HCl

GC17087

Dyclonine HCl

Also known as 1-(4-butoxyphenyl)-3-piperidin-1-ylpropan-1-one;hydrochloride

Dyclonine (Dyclocaine) hydrochloride is an orally effective ALDH covalent inhibitor (crosses blood-brain barrier), with an IC50 of 35 μM for ALDH2 and 76 μM for ALDH3A1

ChemicalCAS536-43-6MW325.87FormulaC18H27NO2·HCl
CAS number
536-43-6
Molecular weight
325.87
Formula
C18H27NO2·HCl
Solubility
≥ 14·6mg/mL in Ethanol
InChIKey
KNZADIMHVBBPOA-UHFFFAOYSA-N
Catalogue number
GC17087
Brand
GLPBIO
Computed properties PubChem CID 68304 · TPSA 29.5 Ų · H-bond donors 1 · H-bond acceptors 3
TPSA
29.5 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
8
Heavy atoms
22

SMILES CCCCOC1=CC=C(C=C1)C(=O)CCN2CCCCC2.Cl

Computed descriptors from PubChem (CID 68304), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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