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53716-50-0

53716-50-0 structural image
Product Name: Oxfendazole
Formula: C15H13N3O3S
Synonyms: Methyl 5-(phenylsulfinyl)-benzimidazol-2-carbamate
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 253 °C
Collision Cross Section 174.1 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

SAFETY INFORMATION

Signal word Danger
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 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.
P391:Collect spillage. Hazardous to the aquatic environment
P308+P313:IF exposed or concerned: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 315.3 g/mol
XLogP3 2.3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 4
Exact Mass 315.06776246 g/mol
Monoisotopic Mass 315.06776246 g/mol
Topological Polar Surface Area 103 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 428
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Oxfendazole is a member of the class of benzimidazoles that is fenbendazole in which the sulfur has been oxidised to the corresponding sulfoxide. It has a role as an antinematodal drug. It is a sulfoxide, a member of benzimidazoles and a carbamate ester. It is functionally related to a fenbendazole.

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