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Penehyclidine hydrochloride

CAT: 1410-M35531-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M35531-01Size:5 mg
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Description
Penehyclidine hydrochloride (Penequinine hydrochloride) is an M1 and M3 antagonist and activates NF-κB in lung tissue. Penehyclidine hydrochloride inhibits the release of inflammatory factors and shows anticholinergic properties.
CAS Number
151937-76-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
351.91
Molecular Formula
C20H30ClNO2
Notes
Research use only, not for human use.
Receptor
NF-κB | AChR

Chemical Information

Penehyclidine hydrochloride
CAS Number151937-76-7
PubChem CID177923
IUPAC Name2-(1-azabicyclo[2.2.2]octan-3-yloxy)-1-cyclopentyl-1-phenylethanol;hydrochloride
Molecular FormulaC20H30ClNO2
Molecular Weight351.9
Topological Polar Surface Area32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity381
SMILES
C1CCC(C1)C(COC2CN3CCC2CC3)(C4=CC=CC=C4)O.Cl
InChI
InChI=1S/C20H29NO2.ClH/c22-20(18-8-4-5-9-18,17-6-2-1-3-7-17)15-23-19-14-21-12-10-16(19)11-13-21;/h1-3,6-7,16,18-19,22H,4-5,8-15H2;1H
InChIKey
DDTVVMRZNVIVQM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Penehyclidine hydrochloride
CAS: 151937-76-7
CID: 177923
Formula: C20H30ClNO2
MW: 351.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight351.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass351.1965069
Monoisotopic Mass351.1965069
Topological Polar Surface Area32.7 Ų
Heavy Atom Count24
Formal Charge0
Complexity381
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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