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Pyrantel

CAT: 0013-GTR19206770-01Size: 50 mgDry Ice: NoHazardous: No
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Description
Pyrantel is a depolarizing neuromuscular blocking agent that acts as a nicotinic acetylcholine receptor agonist. This persistent activation induces spastic paralysis in helminths, making it a useful anthelmintic research tool for studying neuromuscular junctions in both in vivo parasite models and in vitro assays.
CAS Number
15686-83-6
Field of Research
Infectious Disease & Virology, Neuroscience
Smiles
C (=C/C1=CC=CS1) \C=2N (C) CCCN2
Molecular Formula
C11H14N2S
Molecular Weight
206.31
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pyrantel

Pyrantel is a carboxamidine that is 1,4,5,6-tetrahydropyrimidine that is substituted at position 1 by a methyl group and at position 2 by an (E)-2-(2-thienyl)vinyl group. It is used, particularly as the embonate [4,4'-methylenebis(3-hydroxy-2-naphthoate)] salt, as an anthelmintic that is effective against intestinal nematodes including threadworms, roundworms and hookworms, and is included in the WHO 'Model List of Essential Medicines'. It has a role as an antinematodal drug. It is a member of thiophenes, a carboxamidine and a member of 1,4,5,6-tetrahydropyrimidines.

CAS Number15686-83-6
PubChem CID708857
IUPAC Name1-methyl-2-[(E)-2-thiophen-2-ylethenyl]-5,6-dihydro-4H-pyrimidine
Molecular FormulaC11H14N2S
Molecular Weight206.31
XLogP1.6
Topological Polar Surface Area43.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity248
SMILES
CN1CCCN=C1/C=C/C2=CC=CS2
InChI
InChI=1S/C11H14N2S/c1-13-8-3-7-12-11(13)6-5-10-4-2-9-14-10/h2,4-6,9H,3,7-8H2,1H3/b6-5+
InChIKey
YSAUAVHXTIETRK-AATRIKPKSA-N
Chemical Structure
2D Structure
2D structure of Pyrantel
CAS: 15686-83-6
CID: 708857
Formula: C11H14N2S
MW: 206.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight206.31
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass206.08776963
Monoisotopic Mass206.08776963
Topological Polar Surface Area43.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity248
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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