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Febantel - 10mM in DMSO, high purity , CAS No.58306-30-2
Basic Description
Synonyms
Febantel | 58306-30-2 | Rintal | Combotel | Oratel | Negabot Plus Paste | Bay Vh 5757 | Febantelum | BAY Vh5757 | BAY-VH-5757 | Febantelum [INN-Latin] | BAY H 5757 | BAY-H-5757 | Febantel for veterinary use | Febantel D6 | EINECS 261-205-0 | UNII-S75C401OS1 | BRN 2195764 | BAYVH-5757 | DTXSID
Specifications & Purity
10mM in DMSO
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organosulfur compounds
Class
Thioethers
Subclass
Aryl thioethers
Intermediate Tree Nodes
Not available
Direct Parent
Diarylthioethers
Alternative Parents
Anilides Thiophenol ethers N-arylamides Methylcarbamates Guanidines Secondary carboxylic acid amides Organic carbonic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Dialkyl ethers Carboximidamides Carbonyl compounds Imines Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Diarylthioether - Anilide - Thiophenol ether - N-arylamide - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - Methylcarbamate - Carboxamide group - Guanidine - Carbonic acid derivative - Secondary carboxylic acid amide - Sulfenyl compound - Carboximidamide - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Organic oxide - Carbonyl group - Imine - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
methyl N-[N'-[2-[(2-methoxyacetyl)amino]-4-phenylsulfanylphenyl]-N-methoxycarbonylcarbamimidoyl]carbamate
INCHI
InChI=1S/C20H22N4O6S/c1-28-12-17(25)21-16-11-14(31-13-7-5-4-6-8-13)9-10-15(16)22-18(23-19(26)29-2)24-20(27)30-3/h4-11H,12H2,1-3H3,(H,21,25)(H2,22,23,24,26,27)
InChIKey
HMCCXLBXIJMERM-UHFFFAOYSA-N
Smiles
COCC(=O)NC1=C(C=CC(=C1)SC2=CC=CC=C2)N=C(NC(=O)OC)NC(=O)OC
Isomeric SMILES
COCC(=O)NC1=C(C=CC(=C1)SC2=CC=CC=C2)N=C(NC(=O)OC)NC(=O)OC
WGK Germany
3
RTECS
FB3955000
Molecular Weight
446.48
Reaxy-Rn
13258677
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13258677&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
130°C(lit.)
Molecular Weight
446.500 g/mol
XLogP3
3.800
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
8
Rotatable Bond Count
10
Exact Mass
446.126 Da
Monoisotopic Mass
446.126 Da
Topological Polar Surface Area
153.000 Ų
Heavy Atom Count
31
Formal Charge
0
Complexity
621.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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