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Chemical structure of Adiphenine HCl

GC13542

Adiphenine HCl

Also known as 2-(diethylamino)ethyl 2,2-diphenylacetate;hydrochloride

Adiphenine HCl is a non-competitive inhibitor of nicotinic acetylcholine receptor (nAChR), with an IC50s of 1·9, 1·8, 3·7, and 6·3 μM for α1, α3β4, α4β2, and α4β4, respectively

ChemicalCAS50-42-0MW347.88FormulaC20H25NO2·HCl
CAS number
50-42-0
Molecular weight
347.88
Formula
C20H25NO2·HCl
Solubility
≥ 17·394mg/mL in DMSO
InChIKey
LKPINBXAWIMZCG-UHFFFAOYSA-N
Catalogue number
GC13542
Brand
GLPBIO
Computed properties PubChem CID 5763 · 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
9
Heavy atoms
24

SMILES CCN(CC)CCOC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2.Cl

Computed descriptors from PubChem (CID 5763), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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