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Scoparone

Scoparone structure

CAS No:
120-08-1
Formula:
C11H10O4
Chemical Name:
Scoparone
Synonyms:
2H-1-Benzopyran-2-one,6,7-dimethoxy-;Coumarin,6,7-dimethoxy-;6,7-Dimethoxy-2H-1-benzopyran-2-one;6,7-Dimethoxycoumarin;O-Methylisoscopoletin;Scoparone;Aesculetin dimethyl ether;Escoparone;Scoparon;O,O-Dimethylesculetin;Esculetin dimethyl ether;Scopoletin methyl ether;O-Methylscopoletin;Scopoletin monomethyl ether;Esculetin 6,7-dimethyl ether;6,7-Dimethylesculetin;NRB 03190;6,7-Dimethoxy-2H-chromen-2-one
Categories:
Cosmetic Ingredient > Antioxidant Ingredient

Description

Scoparone is isolated from Artemisia capillaris, has anticoagulant, vasorelaxant antioxidant, anti-inflammatory activities[1].

Solid

Scoparone is a member of the class of coumarins that is esculetin in which the two hydroxy groups at positions 6 and 7 are replaced by methoxy groups. It is a major constituent of the Chinese herbal medicine Yin Chen Hao, and exhibits a variety of pharmacological activities such as anti-inflammatory, anti-allergic, and anti-tumor activities. It has a role as a plant metabolite, an anti-inflammatory agent, an antilipemic drug, an immunosuppressive agent, an antihypertensive agent and an anti-allergic agent. It is a member of coumarins and an aromatic ether. It derives from an esculetin.

Scoparone Basic Attributes

Molecular Weight：

206.19

Exact Mass：

206.19

EC Number：

204-369-0

UNII：

H5841PDT4Y

DSSTox ID：

DTXSID10152640

HScode：

29322090

Characteristics

PSA：

44.8

XLogP3：

1.9

Appearance：

Solid

Density：

1.25 g/cm³

Melting Point：

145.5 °C

Boiling Point：

265.04°C (rough estimate)

Flash Point：

166.8±27.9 °C

Refractive Index：

1.4389 (estimate)

Water Solubility：

4172 mg/L @ 25 °C (est)

Vapor Pressure：

1.2E-05mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

2811

wgk germany：

hazard class code：

23/24/25-36-22

safety instructions：

27/28-36/37/39-45-26

RTECS Number：

GN6550000

Marks：

Precautionary statement(s)：

P301 + P310-P305 + P351 + P338

Hazard Statements：

H301-H319

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P280, P301+P310, P305+P351+P338, P321, P330, P337+P313, P405, and P501|Aggregated GHS information provided by 40 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH：

Gastrointestinal agents that stimulate the flow of bile into the duodenum (cholagogues) or stimulate the production of bile by the liver (choleretic). (See all compounds classified as Cholagogues and Choleretics.)|Agents used for the treatment or prevention of cardiac arrhythmias. They may affect the polarization-repolarization phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibers. Anti-arrhythmia agents are often classed into four main groups according to their mechanism of action: sodium channel blockade, beta-adrenergic blockade, repolarization prolongation, or calcium channel blockade. (See all compounds classified as Anti-Arrhythmia Agents.)|Drugs used in the treatment of acute or chronic vascular HYPERTENSION regardless of pharmacological mechanism. Among the antihypertensive agents are DIURETICS; (especially DIURETICS, THIAZIDE); ADRENERGIC BETA-ANTAGONISTS; ADRENERGIC ALPHA-ANTAGONISTS; ANGIOTENSIN-CONVERTING ENZYME INHIBITORS; CALCIUM CHANNEL BLOCKERS; GANGLIONIC BLOCKERS; and VASODILATOR AGENTS. (See all compounds classified as Antihypertensive Agents.)|Drugs used to cause dilation of the blood vessels. (See all compounds classified as Vasodilator Agents.)

MeSH Entry Terms：

6,7-dimethoxy-coumarin

Scoparone Use and Manufacturing

Used as an intermediate in organic synthesis. The product is also a kind of medicine, which has the effects of relieving asthma, expectorant and antitussive.

Computed Properties

Molecular Weight:206.19
XLogP3:1.9
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:206.05790880
Monoisotopic Mass:206.05790880
Topological Polar Surface Area:44.8
Heavy Atom Count:15
Complexity:274
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 120-08-1

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Guide of Scoparone

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
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