ChemicalBook--->CAS DataBase List--->776-86-3

776-86-3

776-86-3 Structure

776-86-3 Structure
IdentificationBack Directory
[Name]

6-HYDROXY-7-METHOXYCOUMARIN
[CAS]

776-86-3
[Synonyms]

ISOSCOPOLETIN
ISOSCOPOLETINE
7-Methoxyesculetin
6-O-Demethylscoparone
esculetin 7-methyl ether
6-HYDROXY-7-METHYLCOUMARIN
6-HYDROXY-7-METHOXYCOUMARIN
7-METHOXY-6-HYDROXYCOUMARIN
6-hydroxy-7-methoxychromen-2-one
6-hydroxy-7-methoxy-chromen-2-one
6-hydroxy-7-methoxy-2-benzopyrone
6-hydroxy-7-methoxy-2H-chromen-2-one
6-Hydroxy-7-methoxy-2H-1-benzopyran-2-one
ISOSCOPOLETIN (6-HYDROXY-7-METHYLCOUMARIN)
6-Hydroxy-7-methyl coumarin-(Isoscopoletin) -
7-Methoxyesculetin, Esculetin 7-methyl ether, Isoscopoletin
[EINECS(EC#)]

212-282-4
[Molecular Formula]

C10H8O4
[MDL Number]

MFCD00016976
[MOL File]

776-86-3.mol
[Molecular Weight]

192.17
Chemical PropertiesBack Directory
[Melting point ]

206-208°C
[Boiling point ]

413.5±45.0 °C(Predicted)
[density ]

1.37 g/cm3
[storage temp. ]

2-8°C
[solubility ]

DMSO: soluble
[form ]

Solid
[pka]

8.94±0.20(Predicted)
[color ]

Pale Beige to Light Beige
[LogP]

0.830 (est)
[CAS DataBase Reference]

776-86-3
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

22-36/37/38
[Safety Statements ]

22-24/25-36-26
[WGK Germany ]

3
[F ]

8
[HS Code ]

29322090
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethyl acetate-->Petroleum ether-->Acetic anhydride-->Sodium acetate trihydrate-->Ammonium persulfate-->Isovanillin
Hazard InformationBack Directory
[Description]

Isoscopolamine is an antiasthmatic drug, which has the effect of relaxing smooth muscle and antihistamine. It can be used clinically in patients with chronic bronchitis and bronchial asthma.
[Chemical Properties]

Yellow needle-like crystalline powder, soluble in methanol, ethanol, DMSO and other organic solvents, from Dengzhanhua, Rhododendron.
[Uses]

Isoscopolamine has anti-inflammatory, antioxidant, improving myocardial ischemia, anti-arrhythmic effects.
[Definition]

ChEBI: Isoscopoletin is a hydroxycoumarin that is esculetin in which the hydroxy group at position 7 is replaced by a methoxy group. It is the major primary metabolite of scoparone. It has a role as a plant metabolite. It is a hydroxycoumarin and an aromatic ether. It is functionally related to an esculetin.
[Biological Activity]

Isoscopoletin (6-Hydroxy-7-methoxycoumarin) is an active ingredient in Artemisia argyi. It has a significant inhibitory effect on cell proliferation with IC50 values of 4.0 μM and 1.6 μM against human CCRF-CEM leukemia cells and drug-resistant subline CEM/ADR5000, respectively. It (6-Hydroxy-7-methoxycoumarin) has the activity of inhibiting HBV replication.
[storage]

4°C, protect from light
Spectrum DetailBack Directory
[Spectrum Detail]

6-HYDROXY-7-METHOXYCOUMARIN(776-86-3)MS
6-HYDROXY-7-METHOXYCOUMARIN(776-86-3)1HNMR
6-HYDROXY-7-METHOXYCOUMARIN(776-86-3)IR1
6-HYDROXY-7-METHOXYCOUMARIN(776-86-3)IR2
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