≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Coumetarol (Dicumoxane) is a vitamin K antagonist.
In Vitro
Coumetarol (Dicumoxane), an oral anticoagulant, is active in both models. The vitamin K antagonist Coumetarol is effective in both models after oral treatment but inhibits the thrombus formation more strongly in the arterio-venous shunt model. Treatment with the vitamin K antagonist Coumetarol in a dose of 25 mg/kg p.o. twice daily for 2 days results in a significant reduction in thrombus weight by 50% in the venous stasis model and by 75% in the arterio-venous shunt model. In both experiments the coagulation time as measured by the Thrombotest is prolonged to the same extent. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
IC50& Target:vitamin K
| Canonical Smiles | COCC(C1=C(C2=CC=CC=C2OC1=O)O)C3=C(C4=CC=CC=C4OC3=O)O |
|---|---|
| IUPAC Name | 4-hydroxy-3-[1-(4-hydroxy-2-oxochromen-3-yl)-2-methoxyethyl]chromen-2-one |
| InChIKey | BUCJFFQZPGTGPX-UHFFFAOYSA-N |
| INCHI | 1S/C21H16O7/c1-26-10-13(16-18(22)11-6-2-4-8-14(11)27-20(16)24)17-19(23)12-7-3-5-9-15(12)28-21(17)25/h2-9,13,22-23H,10H2,1H3 |
| Isomeric SMILES | COCC(C1=C(C2=CC=CC=C2OC1=O)O)C3=C(C4=CC=CC=C4OC3=O)O |
| PubChem CID | 54716150 |
| Molecular Weight | 380.35 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| Class | Coumarins and derivatives |
| Subclass | Hydroxycoumarins |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 4-hydroxycoumarins |
| Alternative Parents | 1-benzopyrans Pyranones and derivatives Benzenoids Vinylogous acids Heteroaromatic compounds Lactones Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 4-hydroxycoumarin - Benzopyran - 1-benzopyran - Pyranone - Pyran - Benzenoid - Heteroaromatic compound - Vinylogous acid - Lactone - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 4-hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to C4-position the coumarin skeleton. |
| External Descriptors | Not available |
| Solubility | DMSO : 250 mg/mL (657.29 mM; Need ultrasonic) |
|---|---|
| Molecular Weight | 380.300 g/mol |
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 380.09 Da |
| Monoisotopic Mass | 380.09 Da |
| Topological Polar Surface Area | 102.000 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 664.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
