53716-50-0
Product Name:
Oxfendazole
Formula:
C15H13N3O3S
Synonyms:
Methyl 5-(phenylsulfinyl)-benzimidazol-2-carbamate
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CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Solid |
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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 |
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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 |
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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.