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Dicoumarol

CAT: 0013-GTR19206747-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19206747-01Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Dicoumarol is a natural hydroxycoumarin anticoagulant that acts as a competitive inhibitor of vitamin K epoxide reductase, disrupting vitamin K recycling. This inhibition depletes active vitamin K, preventing the synthesis of functional prothrombin and other clotting factors. It is widely used in coagulation research and in vivo models to study thrombosis and vitamin K-dependent processes.
CAS Number
66-76-2
Product Name Alternative
Dicoumarol, Dicumarol, Inhibitor, inhibit, NQO1, Pyruvate dehydrogenase kinase, PDK1, PDH, PDH kinase, PDHK
Field of Research
Metabolism Research, Pharmacology & Drug Discovery, Signal Transduction
Purity
98.11% (May vary between batches)
Solubility
H2O:< 1 mg/mL (insoluble or slightly soluble) ; Ethanol:< 1 mg/mL (insoluble or slightly soluble) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:1 mg/mL (2.97 mM) ; DMSO:3.37 mg/mL (10.02 mM)
Smiles
Oc1c (Cc2c (O) c3ccccc3oc2=O) c (=O) oc2ccccc12
Molecular Formula
C19H12O6
Molecular Weight
336.3
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Dicoumarol

Dicumarol can cause developmental toxicity according to state or federal government labeling requirements.

CAS Number66-76-2
PubChem CID54676038
IUPAC Name4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one
Molecular FormulaC19H12O6
Molecular Weight336.3
XLogP2.6
Topological Polar Surface Area93.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity605
SMILES
C1=CC=C2C(=C1)C(=C(C(=O)O2)CC3=C(C4=CC=CC=C4OC3=O)O)O
InChI
InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2
InChIKey
DOBMPNYZJYQDGZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dicoumarol
CAS: 66-76-2
CID: 54676038
Formula: C19H12O6
MW: 336.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight336.3
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass336.06338810
Monoisotopic Mass336.06338810
Topological Polar Surface Area93.1 Ų
Heavy Atom Count25
Formal Charge0
Complexity605
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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