Parapenzolate Free Base

CAT: 0013-GTR19210079-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19210079-01Size:25 mg

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Description

Parapenzolate Free Base is a long-acting anticholinergic agent with antisecretory and antimotility effects. Research demonstrates its oral administration inhibits both basal and histamine-induced gastric acid secretion. It is utilized in pharmacological studies investigating gastrointestinal physiology and anticholinergic mechanisms in experimental models.

CAS Number

15394-61-3

Field of Research

Pharmacology & Drug Discovery

Smiles

C (C (OC1CC[N+] (C) (C) CC1) =O) (O) (C2=CC=CC=C2) C3=CC=CC=C3

Molecular Formula

C21H26NO3

Molecular Weight

340.44

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Parapenzolate

Parapenzolate is a diarylmethane.

CAS Number	15394-61-3
PubChem CID	68640
IUPAC Name	(1,1-dimethylpiperidin-1-ium-4-yl) 2-hydroxy-2,2-diphenylacetate
Molecular Formula	C21H26NO3+
Molecular Weight	340.4
XLogP	3.2
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	25
Formal Charge	1
Complexity	422

SMILES

C[N+]1(CCC(CC1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C

InChI

InChI=1S/C21H26NO3/c1-22(2)15-13-19(14-16-22)25-20(23)21(24,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19,24H,13-16H2,1-2H3/q+1

InChIKey

DMXLLYHBWUOZCZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 15394-61-3

CID: 68640

Formula: C21H26NO3+

MW: 340.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	340.4
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	340.19126869
Monoisotopic Mass	340.19126869
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	25
Formal Charge	1
Complexity	422
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Chemical Information

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