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Piperilate (hydrochloride)

CAT: 0804-HY-105790ASize: 1 EachDry Ice: NoHazardous: No
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Description
Piperilate (Pipethanate) hydrochloride is one of the mixtures of hetrazepine derivative PAF antagonists with anticholinergics, can be used for bronchial asthma research. Piperilate hydrochloride also causes hypotension and rescues mice poisoned by the organophosphates[1][2][3].
CAS Number
4544-15-4
UNSPSC
12352005
Target
Cholinesterase (ChE)
Type
Reference compound
Related Pathways
Neuronal Signaling
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/piperilate-hydrochloride.html
Smiles
O=C(OCCN1CCCCC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O.Cl
Molecular Formula
C21H26ClNO3
Molecular Weight
375.89
References & Citations
[1]Faff J, et al. Therapeutic effects of some cholinolytics in organophosphate intoxications. Arch Toxicol. 1976 Oct 28;36 (2) :139-46. |[2]Tanaka S, et al. [Studies on pharmacological effect of pipethanate. II. Effect of pipethanate on respiration, circulation system and smooth muscle]. Eisei Shikenjo Hokoku. 1971;89:54-8. Japanese. |[3]Heuer, et al. Synergistic combinations of PAF antagonists and anticholinergic agents as drugs for treatment of bronchial asthma: Germany, DE4219659. 1993-12-23.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Benzeneacetic acid, alpha-hydroxy-alpha-phenyl-, 2-(1-piperidinyl)ethyl ester, hydrochloride (1:1)

Pipethanate hydrochloride is a diarylmethane.

CAS Number4544-15-4
PubChem CID23724801
IUPAC Name2-piperidin-1-ylethyl 2-hydroxy-2,2-diphenylacetate;hydrochloride
Molecular FormulaC21H26ClNO3
Molecular Weight375.9
Topological Polar Surface Area49.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count26
Formal Charge0
Complexity389
SMILES
C1CCN(CC1)CCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O.Cl
InChI
InChI=1S/C21H25NO3.ClH/c23-20(25-17-16-22-14-8-3-9-15-22)21(24,18-10-4-1-5-11-18)19-12-6-2-7-13-19;/h1-2,4-7,10-13,24H,3,8-9,14-17H2;1H
InChIKey
ZJVKLBBPLUXEAC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzeneacetic acid, alpha-hydroxy-alpha-phenyl-, 2-(1-piperidinyl)ethyl ester, hydrochloride (1:1)
CAS: 4544-15-4
CID: 23724801
Formula: C21H26ClNO3
MW: 375.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight375.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass375.1601214
Monoisotopic Mass375.1601214
Topological Polar Surface Area49.8 Ų
Heavy Atom Count26
Formal Charge0
Complexity389
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes