Record Information
Version1.0
Creation date2015-10-09 22:31:20 UTC
Update date2017-01-19 02:36:28 UTC
FoodComEx IDPC000568
FoodDB RecordFDB022750
Chemical Information
NameWarfarin
DescriptionWarfarin is a rodenticide used in the home, outdoors, in food service establishments, near fruit trees, in storage buildings, sewers and other places where rodents may be a problem. This white, odorless, tasteless compound, an anti-coagulant, causes bleeding and blood-thinning. [HMDB]
CAS Number81-81-2
Structure
Thumb
Synonyms
SynonymSource
(phenyl-1 acetyl-2 ethyl) 3-hydroxy-4 coumarinhmdb
(phenyl-1 acetyl-2 ethyl) 3-hydroxy-4 coumarinehmdb
(s)-4-hydroxy-3-(3-oxo-1-phenylbutyl)-2-benzopyronehmdb
1-(4'-hydroxy-3'-coumarinyl)-1-phenyl-3-butanonehmdb
200 coumarinhmdb
3-(1'-phenyl-2'-acetylethyl)-4-hydroxycoumarinhmdb
3-(a-Phenyl-b-acetylaethyl)-4-hydroxycumarinGenerator
3-(a-Phenyl-b-acetylethyl)-4-hydroxycoumarinGenerator
3-(acetonylbenzyl)-4-hydroxycoumarinhmdb
3-(alpha-acetonylbenzyl)-4-hydroxycoumarinhmdb
3-(alpha-phenyl-beta-acetylaethyl)-4-hydroxycumarinhmdb
3-(alpha-phenyl-beta-acetylethyl)-4-hydroxycoumarinhmdb
3-(α-phenyl-β-acetylaethyl)-4-hydroxycumarinGenerator
3-(α-phenyl-β-acetylethyl)-4-hydroxycoumarinGenerator
4-hydroxy-3- (3-oxo-1-fenyl-butyl) cumarinehmdb
4-hydroxy-3- (3-oxo-1-phenyl-butyl)-cumarinhmdb
4-hydroxy-3-(3-oxo-1-fenyl-butyl) cumarinehmdb
4-hydroxy-3-(3-oxo-1-phenyl-butyl)-cumarinhmdb
4-hydroxy-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-2-onehmdb
4-hydroxy-3-(3-oxo-1-phenylbutyl)-2H-chromen-2-onehmdb
4-hydroxy-3-(3-oxo-1-phenylbutyl)coumarinhmdb
4-idrossi-3- (3-oxo-)-fenil-butil)-cumarinehmdb
4-idrossi-3-(3-oxo-)-fenil-butil)-cumarinehmdb
4-idrossi-3-(3-oxo-1-fenil-butil)-cumarinehmdb
4oh-coumarin deriv.hmdb
Arab rat deathhmdb
Arab rat dethhmdb
Athrombin-khmdb
Athrombine-khmdb
Brumolinhmdb
Co-raxhmdb
Compound 42hmdb
coumadinhmdb
Coumafenhmdb
Coumafenehmdb
Coumaphenhmdb
Coumaphenehmdb
Coumarinshmdb
Coumefenehmdb
Cov-r-toxhmdb
D-conhmdb
delta-conhmdb
Dethmorhmdb
Dethnelhmdb
Dicusat ehmdb
DL-3-(alpha-acetonylbenzyl)-4-hydroxycoumarinhmdb
Eastern states duocidehmdb
Fasco fascrat powderhmdb
Frass-ratronhmdb
Killgerm sewarin phmdb
Kumaderhmdb
Kumaduhmdb
Kumatoxhmdb
Kypfarinhmdb
Latka 42hmdb
Liqua-toxhmdb
Maag rattentod cumhmdb
Mar-frinhmdb
Martin's mar-frinhmdb
Maveranhmdb
Mouse pakhmdb
Place-paxhmdb
Prothromadinhmdb
Rat & mice baithmdb
Rat and mice baithmdb
Rat-a-wayhmdb
Rat-alpha-wayhmdb
Rat-b-gonhmdb
Rat-beta-gonhmdb
Rat-gardhmdb
Rat-killhmdb
Rat-mixhmdb
Rat-o-cide #2hmdb
Rat-o-cide no. 2hmdb
Rat-olahmdb
Rat-trolhmdb
Ratorexhmdb
Ratoxhmdb
Ratoxinhmdb
Ratronhmdb
Ratron ghmdb
Rats-no-morehmdb
Ratten-koederrohrhmdb
Rattenstreupulver neu schachthmdb
Rattenstreupulver new schachthmdb
Rattentraenkehmdb
Rattunalhmdb
RAXhmdb
RCR grey squirrel killer concentratehmdb
Ro-dethhmdb
Rodafarinhmdb
Rodafarin chmdb
Rodexhmdb
Rodex bloxhmdb
Rosexhmdb
Rough & ready mouse mixhmdb
Rough and ready mouse mixhmdb
Sakarathmdb
Sewarinhmdb
Solfarinhmdb
Sorexa plushmdb
Spray-trol brand roden-trolhmdb
Temus whmdb
Tox-hidhmdb
Twin light rat awayhmdb
Vampirinip IIhmdb
Vampirinip IIIhmdb
Waranhmdb
Warf 10ChEBI
Warfarin sodiumHMDB
WarfarinaChEBI
WarfarineChEBI
WarfarinumChEBI
Zoocoumarinhmdb
Chemical FormulaC19H16O4
IUPAC name2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one
InChI IdentifierInChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,22H,11H2,1H3
InChI KeyQTXVAVXCBMYBJW-UHFFFAOYSA-N
Isomeric SMILESCC(=O)CC(C1=CC=CC=C1)C1=C(O)OC2=CC=CC=C2C1=O
Average Molecular Weight308.3279
Monoisotopic Molecular Weight308.104859
Chemical Taxonomy
Description Belongs to the class of organic compounds known as homoisoflavones. These are homoisoflavonoids with a structure based on the chromone system. Chromone is a bicyclic compound consisting of a 1-benzopyran, which bears a ketone group at the 4-position.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassHomoisoflavonoids
Sub ClassHomoisoflavones
Direct ParentHomoisoflavones
Alternative Parents
Substituents
  • Homoisoflavone
  • Chromone
  • Coumarin
  • Benzopyran
  • 1-benzopyran
  • Pyranone
  • Monocyclic benzene moiety
  • Pyran
  • Benzenoid
  • Heteroaromatic compound
  • Vinylogous acid
  • Ketone
  • Oxacycle
  • Organoheterocyclic compound
  • Organooxygen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Carbonyl group
  • Organic oxygen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointNot Available
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, up to 300 mg
Delivery TimeNot Available
Storage Formsolid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez Fresnovazquezf@ualberta.ca
Commercial Vendors
Cayman Chemical 13566
Glentham GP7659
Toronto Research Chemicals W498500