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Chemical structure of Pitofenone hydrochloride

GC18207

Pitofenone hydrochloride

Also listed as Pitofenone (hydrochloride)

Pitofenone is an antispasmodic agent and an inhibitor of acetylcholinesterase (AChE; Kis = 36 and 45 μM for bovine erythrocyte and electric eel enzyme, respectively)

ChemicalCAS1248-42-6MW403.9FormulaC22H25NO4·HCl
CAS number
1248-42-6
Molecular weight
403.9
Formula
C22H25NO4·HCl
Solubility
DMF: 30 mg/ml,DMSO: 25 mg/ml,Ethanol: 30 mg/ml,Ethanol:PBS(pH 7·2) (1:5): 0·16 mg/ml
InChIKey
ZRFIFDFEDPJBII-UHFFFAOYSA-N
Catalogue number
GC18207
Brand
GLPBIO
Computed properties PubChem CID 121097 · TPSA 55.8 Ų · H-bond donors 1 · H-bond acceptors 5
TPSA
55.8 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
28

SMILES COC(=O)C1=CC=CC=C1C(=O)C2=CC=C(C=C2)OCCN3CCCCC3.Cl

Computed descriptors from PubChem (CID 121097), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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