Structural formula
| Business number | 01T0 |
|---|---|
| Molecular formula | C13H10O4 |
| Molecular weight | 230.22 |
| label |
dentamidin, whiskey, Amylin, Vesnakin, 4-Methoxy-7-methyl-5H-furo[3,2-g][1]-benzopyran-5-one |
Numbering system
CAS number:82-57-5
MDL number:MFCD00005008
EINECS number:201-430-3
RTECS number:LV1420000
BRN number:None
PubChem number:24855274
Physical property data
1. Character: Needle crystal
2. Density (g/mL, 25/4?): Uncertain
3. Relative vapor density (g/mL, Air=1): Uncertain
4. Melting point (ºC): 142?145?
5. Boiling point (ºC, normal pressure): Uncertain
6. Boiling point (ºC, 5.2kPa): Uncertain
7. Refractive index: Uncertain
8. Flash point (ºC): Uncertain
9. Specific optical rotation (º): Uncertain
10. Autoignition point or ignition temperature (ºC): Uncertain
11. Vapor pressure (kPa, 25ºC): Uncertain
12. Saturated vapor pressure (kPa, 60ºC): Uncertain
13. Heat of combustion (KJ/mol): Uncertain
14. Critical temperature (ºC): Uncertain
15. Critical pressure (KPa): Uncertain
16. Log value of oil-water (octanol/water) partition coefficient: Uncertain
17. Explosion upper limit (%, V/V): Uncertain
18. Explosion lower limit (%, V/V): Uncertain
19. Solubility: Very slightly soluble in water, slightly soluble in ethanol, easily soluble in chloroform.
Toxicological data
Acute toxicity:
Rat caliber LD50: 832mg/kg; mouse muscle LD50: 123mg/kg
Ecological data
None
Molecular structure data
1. Molar refractive index: 61.29
2. Molar volume (cm3/mol): 175.9
3. Isotonic specific volume (90.2K): 460.7
4. Surface tension (dyne/cm): 46.9
5. Polarizability (10-24cm3): 24.29
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 2.3
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: 3
6. Topological molecule polar surface area 48.7
7. Number of heavy atoms: 17
8. Surface charge: 0
9. Complexity: 362
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
None
Storage method
Stored sealed and protected from light.
Synthesis method
Exists in the rhizomes of the Umbelliferae plant Ammi visnaga L. and the Ranunculaceae plant Cimicifuga dahurica Maxim. It can also be obtained by synthetic method.
Purpose
It has antispasmodic effect and increases coronary blood flow.
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