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Pitofenone

CAT: 0013-GTR19210794-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210794-02Size:50 mg
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Description
Pitofenone is an acetylcholinesterase inhibitor active against enzymes from bovine erythrocytes and electric eel sources. This small molecule is used in biochemical research to study cholinergic signaling and enzyme kinetics in both in vitro assays and experimental models.
CAS Number
54063-52-4
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
C (=O) (C1=C (C (OC) =O) C=CC=C1) C2=CC=C (OCCN3CCCCC3) C=C2
Molecular Formula
C22H25NO4
Molecular Weight
367.44
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pitofenone

Pitofenone is a member of benzophenones.

CAS Number54063-52-4
PubChem CID121098
IUPAC Namemethyl 2-[4-(2-piperidin-1-ylethoxy)benzoyl]benzoate
Molecular FormulaC22H25NO4
Molecular Weight367.4
XLogP4
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count27
Formal Charge0
Complexity481
SMILES
COC(=O)C1=CC=CC=C1C(=O)C2=CC=C(C=C2)OCCN3CCCCC3
InChI
InChI=1S/C22H25NO4/c1-26-22(25)20-8-4-3-7-19(20)21(24)17-9-11-18(12-10-17)27-16-15-23-13-5-2-6-14-23/h3-4,7-12H,2,5-6,13-16H2,1H3
InChIKey
NZHMAQSCHUSSSJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pitofenone
CAS: 54063-52-4
CID: 121098
Formula: C22H25NO4
MW: 367.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight367.4
XLogP34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass367.17835828
Monoisotopic Mass367.17835828
Topological Polar Surface Area55.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity481
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T69131-01Pitofenone
561768Pitofenone HCl
T4466-01Pitofenone hydrochloride
AR-P31961-01Pitofenone Acid
AR-P02213-01Pitofenone-d4
CS-O-42116Pitofenone D4
A17053-100Pitofenone Hydrochloride 100mg
A17053-10Pitofenone Hydrochloride 10mg
AR-B06756-01Pitofenone Impurity 5
462717-01Pitofenone-d4 Hydrochloride

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