4-Hydroxy-3-[1'-(4''-hydroxyphenyl)-3'-oxobutyl]-2H-1-benzopyran-2-one

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4-Hydroxy-3-[1'-(4''-hydroxyphenyl)-3'-oxobutyl]-2H-1-benzopyran-2-one Basic information
Product Name:4-Hydroxy-3-[1'-(4''-hydroxyphenyl)-3'-oxobutyl]-2H-1-benzopyran-2-one
Synonyms:4-Hydroxy-3-[1(4hydroxyphenl)-3oxobutyl]-2H-1-benzopyran-2-one;3-[α-(2-Oxopropyl)-4-hydroxybenzyl]-4-hydroxycoumarin;3-(α-Acetonyl-p-hydroxybenzyl)-4-hydroxycouMarin;2-hydroxy-3-[1-(4-hydroxyphenyl)-3-oxobutyl]-1-benzopyran-4-one;Warfarin RC4;2H-1-Benzopyran-2-one, 4-hydroxy-3-[1-(4-hydroxyphenyl)-3-oxobutyl]-;Warfarin sodium Impurity 24(4-hydroxywarfarin);4-HYDROXYWARFARIN
CAS:24579-14-4
MF:C19H16O5
MW:324.33
EINECS:
Product Categories:Aromatics;Heterocycles;Metabolites & Impurities;Intermediates & Fine Chemicals;Metabolites;Pharmaceuticals
Mol File:24579-14-4.mol
4-Hydroxy-3-[1'-(4''-hydroxyphenyl)-3'-oxobutyl]-2H-1-benzopyran-2-one Structure
4-Hydroxy-3-[1'-(4''-hydroxyphenyl)-3'-oxobutyl]-2H-1-benzopyran-2-one Chemical Properties
Melting point 205-208°C
Boiling point 568.587±50.00 °C(Press: 760.00 Torr)(predicted)
density 1.385±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
storage temp. 2-8°C
solubility DMSO: soluble
form Solid
pka4.500±1.00(predicted)
color off-white
InChI1S/C19H16O5/c1-11(20)10-15(12-6-8-13(21)9-7-12)17-18(22)14-4-2-3-5-16(14)24-19(17)23/h2-9,15,21-22H,10H2,1H3
InChIKeyRRZWAMPDGRWRPF-UHFFFAOYSA-N
SMILESCC(=O)CC(c1ccc(O)cc1)C2=C(O)c3ccccc3OC2=O
Safety Information
Hazard Codes Xn
Risk Statements 22-41
Safety Statements 26-39
WGK Germany 3
Storage Class11 - Combustible Solids
Hazard ClassificationsAcute Tox. 4 Oral
Eye Dam. 1
MSDS Information
ProviderLanguage
SigmaAldrich English
4-Hydroxy-3-[1'-(4''-hydroxyphenyl)-3'-oxobutyl]-2H-1-benzopyran-2-one Usage And Synthesis
Chemical PropertiesOff-White Solid
UsesA minor CYP3A4 metabolite of S-Warfarin
UsesA metabolite of Warfarin (W498500) in humans.
DefinitionChEBI: 4-hydroxy-3-[1-(4-hydroxyphenyl)-3-oxobutyl]-2H-chromen-2-one is a hydroxycoumarin.
Biological ActivityMinor CYP3A4 metabolite od (S)-warfarin.
4-Hydroxy-3-[1'-(4''-hydroxyphenyl)-3'-oxobutyl]-2H-1-benzopyran-2-one Preparation Products And Raw materials
Tag:4-Hydroxy-3-[1'-(4''-hydroxyphenyl)-3'-oxobutyl]-2H-1-benzopyran-2-one(24579-14-4) Related Product Information
Coryfolin 4-Hydroxy-3-[1'-(4''-hydroxyphenyl)-3'-oxobutyl]-2H-1-benzopyran-2-one 4-Hydroxy-3-methyl-chromen-2-one 6-Phenoxy-hexan-2-one 4-Hydroxy-3-benzylcoumarin PHENPROCOUMON (R)-(+)-WARFARIN