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43210-67-9

43210-67-9 structural image
Product Name: Fenbendazole
Formula: C15H13N3O2S
Synonyms: Fenbendazole;Fenbendazole Impurity B (PhEur);Methyl (5-chloro-1H-benzimidazol-2-yl)carbamate;Methyl 5-(phenylthio)-2-benzimidazolecarbamate
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 233 °C
Solubility 0.9 [ug/mL] (The mean of the results at pH 7.4)
Collision Cross Section 170.8 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Health Hazard
GHS08

Environment
GHS09
GHS Hazard Statements H373:Specific target organ toxicity, repeated exposure
H410:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P201:Obtain special instructions before use.
P202:Do not handle until all safety precautions have been read and understood.
P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P273:Avoid release to the environment.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P308+P313:IF exposed or concerned: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 299.3 g/mol
XLogP3 3.6
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 299.07284784 g/mol
Monoisotopic Mass 299.07284784 g/mol
Topological Polar Surface Area 92.3 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 363
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

PRODUCT INTRODUCTION

description

Fenbendazole is a broad-spectrum anthelmintic drug that is particularly used in veterinary medicine for the treatment of nematodal infections. It is a member of the benzimidazole class, which is a type of compound that has a 1H-benzimidazole core. This core is substituted at positions 2 and 5 with specific functional groups: (methoxycarbonyl)amino and phenylsulfanediyl groups, respectively. Fenbendazole also has roles as an antinematodal drug and is classified as a carbamate ester and an aryl sulfide.

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