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Chemical structure of Pentoxyverine

GC61838

Pentoxyverine

Also known as 2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopentane-1-carboxylate

Pentoxyverine (Carbetapentane) is a sigma-1 receptor agonist, with a Ki of 75 nM on guinea-pig brain membranes

ChemicalCAS77-23-6MW333.47FormulaC20H31NO3
CAS number
77-23-6
Molecular weight
333.47
Formula
C20H31NO3
Solubility
DMSO ： 250 mg/mL (749·69 mM)
InChIKey
CFJMRBQWBDQYMK-UHFFFAOYSA-N
Catalogue number
GC61838
Brand
GLPBIO
Computed properties PubChem CID 2562 · XLogP 3.8 · TPSA 38.8 Ų · H-bond donors 0
XLogP
3.8
TPSA
38.8 Ų
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
11
Heavy atoms
24

SMILES CCN(CC)CCOCCOC(=O)C1(CCCC1)C2=CC=CC=C2

Computed descriptors from PubChem (CID 2562), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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