WHC is still in active development. Read this to understand our approach.
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isomerdesign

Brodifacoum

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pubchem

Brodifacoum

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Data

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

Synonyms: 3-[3-(4'-Bromo[1,1'-biphenyl]-4-yl)-1,2,3,4-tetrahydro-1-naphthalenyl]-4-hydroxy-2H-1-benzopyran-2-one,Caswell No. 114AAA,Brodifacoum [ANSI:BSI:ISO],3-[3-(4'-Bromo[1,1'-biphenyl]-4-yl)-1,2,3,4-tetrahydro-1-naphthalenyl]-4-hydroxy-2H-chromen-2-one #,3-(3-(4'-Bromo-1,1'-biphenyl-4-yl)-1,2,3,4-tetrahydro-1-naphthyl)-4-hydroxycoumarin,Brodifacoum,Coumarin, 3-(3-(4'-bromo-1,1'-biphenyl-4-yl)-1,2,3,4-tetrahydro-1-naphthyl)-4-hydroxy-,3-[3-[4-(4-Bromophenyl)phenyl]tetralin-1-yl]-2-hydroxy-chromen-4-one,AKOS015907950,UNII-A25P3CP5S7,Klerat,CHEMBL233451,Talon rodenticide,3-[3-[4-(4-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-4-hydroxychromen-2-one,Brodifacoum, PESTANAL(R), analytical standard,EPA Pesticide Chemical Code 112701,WBA-8119,3-(3-(4'-Bromo-(1,1'-biphenyl)-4-yl)-1,2,3,4-tetrahydro-1-napthalenyl)-4-hydroxycoumarin,CHEBI:81892,2H-1-Benzopyran-2-one, 3-[3-(4'-bromo[1,1'-biphenyl]-4-yl)-1,2,3,4-tetrahydro-1-naphthalenyl]-4-hydroxy-,56073-10-0,A830909,A25P3CP5S7,3-[3-[4-(4-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxidanyl-chromen-4-one,Super warfarin,4-Hydroxy-3-(3-(4'-bromo-4-biphenylyl)-1,2,3,4-tetrahydro-1-naphthyl)coumarin,PP-581,BRODIFACOUM [HSDB],Talon,073B100,3-(3-(4'-Bromobiphenyl-4-yl)-1,2,3,4-tetrahydronaphth-1-yl)-4-hydroxycoumarin,Brodifakum [Czech],Brodifakum,DTXSID5032529,2H-1-Benzopyran-2-one, 3-(3-(4'-bromo(1,1'-biphenyl)-4-yl)-1,2,3,4-tetrahydro-1-naphthalenyl)-4-hydroxy-,SCHEMBL5933635,Bromfenacoum,SCHEMBL435133,3-(3-(4'-Bromo(1,1'-biphenyl)-4-yl)-1,2,3,4-tetrahydro-1-naphthalenyl)-4-hydroxy-2H-1-benzopyran-2-one,BRODIFACOUM [MI],BRODIFACOUM [NFLIS-DRUG],PP 581,C18694,Brodifacoum [ISO],3-(3-(4'-BROMOBIPHENYL-4-YL)-1,2,3,4-TETRAHYDRO-1-NAPHTHYL)-4-HYDROXYCOUMARIN,Brodimat,3-[3-[4-(4-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-hydroxy-1-benzopyran-4-one,EINECS 259-980-5,BRODIFACOUM,Q421203,WBA 8119,DB-052847,HSDB 3916,BRODIFACOUM [MART.],Volid,3-(3-(4'-bromobiphenyl-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl)-4-hydroxy-2H-chromen-2-one,3-[3-[4-(4-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-hydroxychromen-4-one,3-[(1S,3R)-3-[4-(4-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-4-hydroxychromen-2-one

Estimated data

Solubility: -8.388 (log(S) in mol/L prediction using SolTranNet)

Addictivity Prediction: 30.0% (prediction based on www.mdpi.com)

Similarities

The following is a set of comparisons to understand the properties of this compound. This is still higly experimental and is still under active development. Please refer to our series of blog posts to fully understand our approach and its limitations. This information is for informational purposes only and should not be construed as medical advice.