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Brodifacoum
SpectraBase Compound ID 8zkUjxtnfNg
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
Mol Weight 523.43 g/mol
Molecular Formula C31H23BrO3
Exact Mass 522.083058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7yri0Np3Kjq
Name Brodifacoum
Alternate Name(s) 3-[3-(4'-Bromo[1,1'-biphenyl]-4-yl)-1,2,3,4-tetrahydro-1-naphthalenyl]-4-hydroxy-2H-chromen-2-one Bromfenacoum Klerat Talon Volid Talon rodenticide Brodifakum Super warfarin 3-(3-(4'-Bromo-1,1'-biphenyl-4-yl)-1,2,3,4-tetrahydro-1-naphthyl)-4-hydroxycoumarin 3-(3-(4'-Bromobiphenyl-4-yl)-1,2,3,4-tetrahydronaphth-1-yl)-4-hydroxycoumarin 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 3-(3-(4'-Bromo-(1,1'-biphenyl)-4-yl)-1,2,3,4-tetrahydro-1-napthalenyl)-4-hydroxycoumarin 4-Hydroxy-3-(3-(4'-bromo-4-biphenylyl)-1,2,3,4-tetrahydro-1-naphthyl)coumarin 2H-1-Benzopyran-2-one, 3-(3-(4'-bromo(1,1'-biphenyl)-4-yl)-1,2,3,4-tetrahydro-1-naphthalenyl)-4-hydroxy- 2H-1-Benzopyran-2-one, 3-[3-(4'-bromo[1,1'-biphenyl]-4-yl)-1,2,3,4-tetrahydro-1-naphthalenyl]-4-hydroxy- 3-(3-(4'-Bromo(1,1'-biphenyl)-4-yl)-1,2,3,4-tetrahydro-1-naphthalenyl)-4-hydroxy-2H-1-benzopyran-2-one 3-[3-(4'-Bromo[1,1'-biphenyl]-4-yl)-1,2,3,4-tetrahydro-1-naphthalenyl]-4-hydroxy-2H-1-benzopyran-2-one Brodimat Klerat Block Talon-G 3-[3-[4-(4-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-hydroxychromen-4-one 3-(3-(4'-Bromo-[1,1'-biphenyl]-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-hydroxy-1-benzopyran-4-one 3-[3-[4-(4-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxidanyl-chromen-4-one 3-{3-[4-(4-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl}-2-hydroxy-4H-chromen-4-one
CAS Registry Number 56073-10-0
Comments Structure changed after expert review
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Formula C31H23BrO3
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
Molecular Weight 523.426 g/mol
SMILES OC=1c2c(OC(=O)C1C1CC(Cc3c1cccc3)c1ccc(cc1)-c1ccc(cc1)Br)cccc2
SPLASH splash10-02mj-3962020000-f883d6d9eeada14e27f6
Source of Spectrum CD-67-0-0
Wiley ID 1402293