|
gptkbp:instanceOf
|
gptkb:CAS_Registry_Number
|
|
gptkbp:activeIngredient
|
gptkb:Coumadin
gptkb:Jantoven
gptkb:Marevan
|
|
gptkbp:ATCCode
|
gptkb:B01AA03
|
|
gptkbp:boilingPoint
|
Not applicable (decomposes)
|
|
gptkbp:chemicalFormula
|
C19H16O4
|
|
gptkbp:class
|
Coumarin derivative
Vitamin K antagonist
|
|
gptkbp:color
|
white to off-white crystalline powder
|
|
gptkbp:hasInChIKey
|
UJYFUPVZGZXUEE-UHFFFAOYSA-N
|
|
gptkbp:hasSMILES
|
CC(=O)C1=C(C=CC=C1)C2=CC=CC=C2C(=O)O
|
|
https://www.w3.org/2000/01/rdf-schema#label
|
81-81-2
|
|
gptkbp:isApprovedDrug
|
Yes
|
|
gptkbp:isHazardous
|
Yes
|
|
gptkbp:isSolubleIn
|
ethanol
|
|
gptkbp:isSparinglySolubleIn
|
gptkb:water
|
|
gptkbp:IUPACName
|
4-hydroxy-3-(3-oxo-1-phenylbutyl)-2H-chromen-2-one
|
|
gptkbp:listedOn
|
gptkb:ChEMBL
gptkb:PubChem
gptkb:ChemSpider
gptkb:DrugBank
gptkb:KEGG
|
|
gptkbp:meltingPoint
|
161-162 °C
|
|
gptkbp:molecularWeight
|
308.33 g/mol
|
|
gptkbp:recognizedBy
|
gptkb:Warfarin
|
|
gptkbp:usedFor
|
gptkb:anticoagulant
prevention of thrombosis
prevention of embolism
|
|
gptkbp:usedIn
|
human medicine
rodenticide
|
|
gptkbp:bfsParent
|
gptkb:warfarin
|
|
gptkbp:bfsLayer
|
5
|