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15686-83-6

15686-83-6 structural image
Product Name: pyrante
Formula: C11H14N2S
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CHEMICAL AND PHYSICAL PROPERTIES

Color/Form Crystals from methanol
Odor Odorless
Taste Tasteless
Melting Point 178-179 °C
Solubility insoluble in water
Stability/Shelf Life DECOMP SLOWLY IN LIGHT; RELATIVELY STABLE IN HEAT. /PAMOATE/
Collision Cross Section 143 Ų [M+H]+ [CCS Type: TW]

COMPUTED DESCRIPTORS

Molecular Weight 206.31 g/mol
XLogP3 1.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 2
Exact Mass 206.08776963 g/mol
Monoisotopic Mass 206.08776963 g/mol
Topological Polar Surface Area 43.8 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 248
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

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.