For research use only.

Catalog No.S4170

Coumarin Chemical Structure

CAS No. 91-64-5

Coumarin is a secondary phytochemical with hepatotoxic and carcinogenic properties.

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Biological Activity

Description Coumarin is a secondary phytochemical with hepatotoxic and carcinogenic properties.
In vitro

Coumarin is a fragrant organic chemical compound in the benzopyrone chemical class, which is a colorless crystalline substance in its standard state. Coumarin is a naturally occurring constituent of many plants and essential oils, including tonka beans, sweet clover, woodruff, oil of cassia, and lavender. Coumarin is a member of a class of compounds called benzopyrones. Coumarin compounds have been used to treat such diverse ailments as cancer, bums, brucellosis, and rheumatic disease, and they have been used as antispasmodics. Although coumarin itself has no anticoagulant properties, it is transformed into the natural anticoagulant dicoumarol by a number of species of fungi. This occurs as the result of the production of 4-hydroxycoumarin, then further into the actual anticoagulant dicoumarol, a fermentation product and mycotoxin. This substance is responsible for the bleeding disease known historically as "sweet clover disease" in cattle eating moldy sweet clover silage.[1]


Solubility (25°C)

In vitro DMSO 29 mg/mL (198.43 mM)
Ethanol 29 mg/mL (198.43 mM)
Water Insoluble

* Please note that Selleck tests the solubility of all compounds in-house, and the actual solubility may differ slightly from published values. This is normal and is due to slight batch-to-batch variations.

Chemical Information

Molecular Weight 146.14


CAS No. 91-64-5
Storage powder
in solvent
Synonyms N/A
Smiles C1=CC=C2C(=C1)C=CC(=O)O2

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Clinical Trial Information

NCT Number Recruitment interventions Conditions Sponsor/Collaborators Start Date Phases
NCT01119300 Completed Other: Genotype-guided dosing algorithm|Other: Standard care Venous Thromboembolism|Atrial Fibrillation Utrecht Institute for Pharmaceutical Sciences|Utrecht University|Leiden University Medical Center|Erasmus Medical Center|University of Ulm|Newcastle University|University of Liverpool|LGC Limited|Uppsala University|Democritus University of Thrace|Elisabethinen Hospital January 2011 Phase 4
NCT00157118 Completed Drug: Protein C Concentrate (Human) Vapor Heated Protein C Deficiency Baxalta now part of Shire|Shire August 2003 Phase 2|Phase 3

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Cell Lines Assay Type Concentration Incubation Time Formulation Activity Description PMID