CHEBI:35812 - oxfendazole

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name oxfendazole ChEBI ID CHEBI:35812 Definition A member of the class of benzimidazoles that is fenbendazole in which the sulfur has been oxidised to the corresponding sulfoxide. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information ChemicalBook:CB9154454, eMolecules:494155, ZINC000001580987 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Coronene (also known as superbenzene and cyclobenzene) is a polycyclic aromatic hydrocarbon (PAH) comprising seven peri-fused benzene rings. Its chemical formula is C24H12. It is a yellow material that dissolves in common solvents including benzene, toluene, and dichloromethane. Its solutions emit blue light fluorescence under UV light. It has been used as a solvent probe, similar to pyrene. The compound is of theoretical interest to organic chemists because of its aromaticity. It can be described by 20 resonance structures or by a set of three mobile Clar sextets. In the Clar sextet case, most stable structure for coronene has only three isolated outer sextets as fully aromatic although superaromaticity would still be possible when these sextets are able to migrate into next ring. Read full article at Wikipedia Formula C15H13N3O3S Net Charge 0 Average Mass 315.34814 Monoisotopic Mass 315.06776 InChI InChI=1S/C15H13N3O3S/c1-21-15(19)18-14-16-12-8-7-11(9-13(12)17-14)22(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19) InChIKey BEZZFPOZAYTVHN-UHFFFAOYSA-N SMILES COC(=O)Nc1nc2cc(ccc2[nH]1)S(=O)c1ccccc1 Roles Classification Application(s): antinematodal drug A substance used in the treatment or control of nematode infestations. View more via ChEBI Ontology ChEBI Ontology Outgoing oxfendazole (CHEBI:35812) has functional parent fenbendazole (CHEBI:77092) oxfendazole (CHEBI:35812) has role antinematodal drug (CHEBI:35444) oxfendazole (CHEBI:35812) is a benzimidazoles (CHEBI:22715) oxfendazole (CHEBI:35812) is a carbamate ester (CHEBI:23003) oxfendazole (CHEBI:35812) is a sulfoxide (CHEBI:22063) IUPAC Name methyl [5-(phenylsulfinyl)-1H-benzimidazol-2-yl]carbamate Synonyms Sources (5-(phenylsulfinyl)-1H-benzimidazol-2-yl)carbamic acid methyl ester ChemIDplus 5-(phenylsulfinyl)-2-benzimidazolecarbamic acid methyl ester ChemIDplus 5-phenylsulfinyl-2-carbomethoxyaminobenzimidazole ChemIDplus fenbendazole S-oxide UniProt Fenbendazole sulfoxide ChEBI OFDZ ChemIDplus Manual Xrefs Databases 1757 VSDB LSM-1466 LINCS Oxfendazole Wikipedia View more database links Registry Numbers Types Sources 53716-50-0 CAS Registry Number ChemIDplus 761290 Beilstein Registry Number Beilstein Last Modified 20 December 2017