CHEBI:81892 - Brodifacoum

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ChEBI Name Brodifacoum ChEBI ID CHEBI:81892 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C31H23BrO3 Net Charge 0 Average Mass 523.41700 Monoisotopic Mass 522.08306 InChI InChI=1S/C31H23BrO3/c32-24-15-13-20(14-16-24)19-9-11-21(12-10-19)23-17-22-5-1-2-6-25(22)27(18-23)29-30(33)26-7-3-4-8-28(26)35-31(29)34/h1-16,23,27,33H,17-18H2 InChIKey VEUZZDOCACZPRY-UHFFFAOYSA-N SMILES Oc1c(C2CC(Cc3ccccc23)c2ccc(cc2)-c2ccc(Br)cc2)c(=O)oc2ccccc12 ChEBI Ontology Outgoing Brodifacoum (CHEBI:81892) is a benzenes (CHEBI:22712) Brodifacoum (CHEBI:81892) is a naphthalenes (CHEBI:25477) Brodifacoum (CHEBI:81892) is a ring assembly (CHEBI:36820) Manual Xrefs Databases 87 PPDB C18694 KEGG COMPOUND View more database links Registry Number Type Source 56073-10-0 CAS Registry Number KEGG COMPOUND