Coumetarol - ≥99% , CAS No.4366-18-1

CAS: 4366-18-1 Cat. No.: C647002 Summenformel: C₂₁H₁₆O₇ Molekulargewicht: 380.35 PubChem CID: 54716150

QUALITÄT & REINHEIT ≥99%

Synonyms

Dicumoxane; Ph 137|4-hydroxy-3-[1-(4-hydroxy-2-oxochromen-3-yl)-2-methoxyethyl]chromen-2-one|Coumetarol [INN:BAN:DCF]|Coumetarolum [INN-Latin]|COUMETAROL [MI]|Cumetarolo|Cumetarolo [DCIT]|Coumetarolum|3,3'-(2-Methoxyethylidene)bis(4-hydroxycoumarin)|Cumetarol [INN-Spanish]|Coumetarol|Cumetharol|Cumetarol|COUMETAROL [INN]|COUMETAROL [WHO-DD]

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

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

Spezifikationen

Synonyme

Dicumoxane; Ph 137 | 4-hydroxy-3-[1-(4-hydroxy-2-oxochromen-3-yl)-2-methoxyethyl]chromen-2-one | Coumetarol [INN:BAN:DCF] | Coumetarolum [INN-Latin] | COUMETAROL [MI] | Cumetarolo | Cumetarolo [DCIT] | Coumetarolum | 3,3'-(2-Methoxyethylidene)bis(4-hydroxycoumarin) | Cumetarol [INN-Spanish] | Coumetarol | Cumetharol | Cumetarol | COUMETAR Show more

Spezifikationen & Reinheit

≥99%

Biochemische und physiologische Mechanismen

Coumetarol (Dicumoxane) is a vitamin K antagonist.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

ANTAGONIST

Reinheit

≥99%

Namen und Kennungen

Kanonisches Lächeln

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

Isomere SMILES

COCC(C1=C(C2=CC=CC=C2OC1=O)O)C3=C(C4=CC=CC=C4OC3=O)O

PubChem CID

54716150

Molekulargewicht

380.35

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Klasse Coumarins and derivatives
      • Subclass Hydroxycoumarins

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: 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
• Beschreibung: 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

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO : 250 mg/mL (657.29 mM; Need ultrasonic)
• Molekulargewicht: 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