CHEBI:187866 - BM 567

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name BM 567
ChEBI ID CHEBI:187866
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C18H28N4O5S
Net Charge 0
Average Mass 412.510
Monoisotopic Mass 412.17804
InChI InChI=1S/C18H28N4O5S/c1-2-3-7-12-19-18(23)21-28(26,27)17-13-15(22(24)25)10-11-16(17)20-14-8-5-4-6-9-14/h10-11,13-14,20H,2-9,12H2,1H3,(H2,19,21,23)
InChIKey WNIPBGJWMANRGA-UHFFFAOYSA-N
SMILES S(=O)(=O)(NC(=O)NCCCCC)C1=C(NC2CCCCC2)C=CC([N+]([O-])=O)=C1
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing BM 567 (CHEBI:187866) is a benzenes (CHEBI:22712)
BM 567 (CHEBI:187866) is a sulfonamide (CHEBI:35358)
IUPAC Name
1-[2-(cyclohexylamino)-5-nitrophenyl]sulonyl-3-pentylurea
Manual Xref Database
8042059 ChemSpider
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Registry Number Type Source
284464-77-3 CAS Registry Number ChemIDplus