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| CAS No.: | 82-57-5 |
|---|---|
| Name: | 5H-Furo[3,2-g][1]benzopyran-5-one,4-methoxy-7-methyl- |
| Molecular Structure: | |
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|
|
| Formula: | C13H10O4 |
| Molecular Weight: | 230.22 |
| Synonyms: | 5-Methoxy-2-methyl-6,7-furanochrome;5-Methoxy-2-methylfuranochromone;Desmethoxykhellin;NSC 100593;Visnagidin;Visnagine;4-Methoxy-7-methyl-5H-furo[3,2-g][1]benzopyran-5-one;Visnagin(6CI); |
| EINECS: | 201-430-3 |
| Density: | 1.308 g/cm3 |
| Melting Point: | 139-142 °C |
| Boiling Point: | 378.2 °C at 760 mmHg |
| Flash Point: | 182.5 °C |
| Appearance: | beige fine crystalline powder |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22 |
| PSA: | 52.58000 |
| LogP: | 2.85620 |
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Specification
The 5H-Furo[3,2-g][1]benzopyran-5-one,4-methoxy-7-methyl-, with the CAS registry number 82-57-5, is also known as 4-Methoxy-7-methyl-5H-furo[3,2-g]chromen-5-one. It belongs to the product category of Chromones. Its EINECS registry number is 201-430-3. This chemical's molecular formula is C13H10O4 and molecular weight is 230.22. What's more, its IUPAC name is called 4-Methoxy-7-methylfuro[3,2-g]chromen-5-one. It is beige fine crystalline powder. And this chemical's classification code is Drug / Therapeutic Agent.
Physical properties about 5H-Furo[3,2-g][1]benzopyran-5-one,4-methoxy-7-methyl- are: (1)ACD/LogP: 2.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.26; (4)ACD/LogD (pH 7.4): 2.26; (5)ACD/BCF (pH 5.5): 30.79; (6)ACD/BCF (pH 7.4): 30.79; (7)ACD/KOC (pH 5.5): 404.62; (8)ACD/KOC (pH 7.4): 404.62; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 48.67 Å2; (13)Index of Refraction: 1.613; (14)Molar Refractivity: 61.29 cm3; (15)Molar Volume: 175.9 cm3; (16)Surface Tension: 46.9 dyne/cm; (17)Density: 1.308 g/cm3; (18)Flash Point: 182.5 °C; (19)Enthalpy of Vaporization: 62.61 kJ/mol; (20)Boiling Point: 378.2 °C at 760 mmHg; (21)Vapour Pressure: 6.4E-06 mmHg at 25 °C; (22)Melting Point: 139-142 °C.
Uses of 5H-Furo[3,2-g][1]benzopyran-5-one,4-methoxy-7-methyl-: (1) it is used for relieving spasm and increasing coronary artery blood flow; (2) it is used to produce other chemicals. For example, it is used to produce 4-Hydroxy-7-methyl-furo[3,2-g]chromen-5-one. The reaction occurs with reagent aqueous hydrochloric acid.
![5H-Furo[3,2-g][1]benzopyran-5-one,4-methoxy-7-methyl- is used to produce 4-Hydroxy-7-methyl-furo[3,2-g]chromen-5-one.](/UserFilesUpload/Uses of 5H-Furo[3,2-g][1]benzopyran-5-one,4-methoxy-7-methyl-.jpg)
When you are dealing with this chemical, you should be very careful. This chemical may cause damage to health. What's more, this chemical is harmful if swallowed.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C1/C=C(\Oc3c1c(OC)c2ccoc2c3)C
(2) InChI: InChI=1/C13H10O4/c1-7-5-9(14)12-11(17-7)6-10-8(3-4-16-10)13(12)15-2/h3-6H,1-2H3
(3) InChIKey: NZVQLVGOZRELTG-UHFFFAOYAE
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intramuscular | 123mg/kg (123mg/kg) | Journal of Drug Research. Vol. 7(2), Pg. 1, 1975. | |
| rat | LD50 | oral | 832mg/kg (832mg/kg) | Journal of Drug Research. Vol. 7(2), Pg. 1, 1975. |