Scoparone
Also known as 6,7-Dimethoxycoumarin, 6,7-Dimethylesculetin, Escoparone
Key facts
What buyers check first
- CAS number
- 120-08-1
- Formula
- C11H10O4
- Molar mass
- 206.20 g/mol
- EC number
- 204-369-0
- HS code
- 293220
- Category
- Cardiovascular and metabolic drugs
What is Scoparone?
Plain description, key identifiers and synonyms
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 an antihypertensive agent, an antilipemic drug, an immunosuppressive agent, an anti-allergic agent, an anti-inflammatory agent and a plant metabolite. It is a member of coumarins and an aromatic ether. It is functionally related to an esculetin.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 6,7-dimethoxychromen-2-one
- CAS number
- 120-08-1 CAS number cross-checked
- EC number
- 204-369-0
- Molecular formula
- C11H10O4
- UNII
- H5841PDT4Y
- MDL number
- MFCD00006871
- INCI name
- SCOPARONE
- InChIKey
- GUAFOGOEJLSQBT-UHFFFAOYSA-N
- InChI
- InChI=1S/C11H10O4/c1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2/h3-6H,1-2H3
- SMILES (canonical and isomeric)
- COC1=C(C=C2C(=C1)C=CC(=O)O2)OC
Synonyms
- 6,7-Dimethoxycoumarin
- 6,7-Dimethylesculetin
- Escoparone
- Scoparon
- 6,7-Dimethoxy-2H-chromen-2-one
- Esculetin dimethyl ether
- Aesculetin dimethyl ether
- 6,7-dimethoxychromen-2-one
- Scopoletin methyl ether
- o-Methylscopoletin
- 6,7-Dimethoxy-2H-1-benzopyran-2-one
- o-Methylisoscopoletin
- o,o-Dimethylesculetin
- 6,7-Dimethoxy-Coumarin
- 6,7-Dimethoxybenzopyran-2-one
- Esculetin 6,7-dimethyl ether
- 6,7-Dimethoxy-2-benzopyrone
- 2H-1-Benzopyran-2-one, 6,7-dimethoxy-
- Dimethyl esculetin
- Coumarin, 6,7-dimethoxy-
- Benzopyran-2-one, 6,7-dimethoxy-
- 6,7-Dimethoxycoumarine
- Escoparone,
- o-Methylsco
- Scoparin?
Show all 34 synonymsShow fewer synonyms
- Dimethylaesculetin
- Scoparone (Standard)
- Di-O-methyl-daphnetin
- 6,7-dimethoxy coumarin
- 5-18-03-00204 (Beilstein Handbook Reference)
- 6,7-Dimethoxy-chromen-2-one
- 6,7-Dimethoxycoumarin, 98%
- 6,7-Dimethylesculetin (NIST)
- ACon1_002079
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 206.20 g/molcalc.Computed value |
|---|---|
| Exact mass | 206.0579 Dacalc.Computed value |
| LogP (octanol/water) | 1.81calc.Computed value |
| Topological polar surface area | 48.67 Ųcalc.Computed value |
| Hydrogen bond donors | 0calc.Computed value |
| Hydrogen bond acceptors | 4calc.Computed value |
| Rotatable bonds | 2calc.Computed value |
| Heavy atoms | 15calc.Computed value |
| Rings | 2calc.Computed value |
| Aromatic rings | 2calc.Computed value |
| Fraction sp3 carbons | 0.18calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
O=c1ccc2ccccc2o1
2 rings, 11 atoms, the Coumarin ring system.
3,845 other chemicals share this scaffoldSafety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H301Toxic if swallowed.
- H319Causes serious eye irritation.
Precautionary statements (11)
- P264Wash skin thoroughly after handling.
- P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
- P270Do not eat, drink or smoke when using this product.
- P280Wear protective gloves, protective clothing, eye protection and face protection.
- P301 + P316If swallowed: Get emergency medical help immediately.
- P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
- P321Specific treatment (see supplemental first aid instructions on the label).
- P330Rinse mouth.
- P337 + P317If eye irritation persists: Get medical help.
- P405Store locked up.
- P501Dispose of contents and container in accordance with local regulations.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Full safety data and first aidScoparone suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- China, NanjingUnclaimed profileScoparoneGrade, purity and minimum order on requestPrice on request
- United States, HaywardUnclaimed profileScoparoneGrade, purity and minimum order on requestPrice on request
- United States, Redwood CityUnclaimed profileScoparoneGrade, purity and minimum order on requestPrice on request
- GermanyUnclaimed profileScoparoneGrade, purity and minimum order on requestPrice on request
- China, SuzhouUnclaimed profileScoparoneGrade, purity and minimum order on requestPrice on request
- China, ShanghaiUnclaimed profileScoparoneGrade, purity and minimum order on requestPrice on request
- China, WuhanUnclaimed profileScoparoneGrade, purity and minimum order on requestPrice on request
- United StatesUnclaimed profileScoparoneGrade, purity and minimum order on requestPrice on request
- Price on request
Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.
Where suppliers are based
29 suppliers in 6 countries
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Scoparone price
Indicative price range per kg from live supplier offers
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Uses and applications
What the substance is used for, by industry and function
Industries and functions
Cosmetic ingredient, INCI name SCOPARONE(antioxidant)
Pharmacological actions
- Anti-Arrhythmia Agents
- Antihypertensive Agents
- Cholagogues and Choleretics
- Vasodilator Agents
Roles
- anti-allergic agent
- anti-inflammatory agent
- antihypertensive agent
- antilipemic drug
- cardiovascular drug
- eukaryotic metabolite
- immunomodulator
- immunosuppressive agent
- metabolite
- pharmaceutical
- plant metabolite
Functional uses
- Antioxidant
Cosmetic functions
- Antioxidant
Regulatory status
Inventories, regulations and trade controls that list this substance
Health and food
- EU cosmetic ingredient inventory
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Scoparone is traded under.
Lactones
- United States14.2%
- India * partner reported13.5%
- Brazil8.5%
* Partner reported figures, a lower bound.
The HS code shown for Scoparone is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Scoparone, based on the data on this page
What is Scoparone?
What is the CAS number of Scoparone?
What is the molecular formula and weight of Scoparone?
What is Scoparone used for?
Is Scoparone hazardous?
What is the HS code of Scoparone?
Where can I buy Scoparone?
What is the price of Scoparone?
Guides for buyers
Practical guides that help when you source, ship or handle Scoparone
- Article, QualityPharma grades explained: IP vs BP vs USP vs EPWhat the Indian, British, US and European pharmacopoeias are, how their monographs differ, what multi grade claims mean and why a grade alone does not make a product fit for medicines.Read
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
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