Structural formula
| Business number | 051H |
|---|---|
| Molecular formula | C14H16O9 |
| Molecular weight | 328.27 |
| label |
Adiphyllin; Saxifrage; Bergamot;, Antitussive and expectorant |
Numbering system
CAS number:477-90-7
MDL number:MFCD00167248
EINECS number:None
RTECS number:None
BRN number:None
PubChem ID:None
Physical property data
1. Properties: White loose needle-like crystals or crystalline powder
2. Density (g/m3, 25/4℃): Undetermined
3. Relative vapor density (g/cm3, air=1): Undetermined
4. Melting point (ºC): 238
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point (ºC, 5.2kPa): Undetermined
7. Refractive index: Undetermined
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8. Flash point (ºC): Undetermined
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC ): Undetermined
11. Vapor pressure (kPa, 25ºC): Undetermined
12. Saturated vapor pressure (kPa, 60ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. The logarithmic value of the oil-water (octanol/water) partition coefficient: Undetermined
17. The upper limit of explosion (%, V/V): Undetermined
18. Lower explosion limit (%, V/V): Undetermined
19. Solubility: Easily soluble in water, soluble in ethanol
Toxicological data
Ecological data
This substance may be harmful to the environment, and special attention should be paid to water bodies.
Molecular structure data
1. Molar refractive index: 73.27
2. Molar volume (cm3/mol): 190.0
3. Isotonic specific volume (90.2K ): 595.7
4. Surface tension (dyne/cm): 96.5
5. Polarizability (10-24cm3): 29.05
Compute chemical data
1. Hydrophobic parameter calculation reference value (XlogP): -1
2. Number of hydrogen bond donors: 5
3. Number of hydrogen bond acceptors: 9
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: 9
6. Topological molecular polar surface area (TPSA): 146
7. Number of heavy atoms: 23
8.Surface charge: 0
9, Complexity: 458
10, Number of isotope atoms: 0
11, Determine the number of atomic stereocenters: 5
12. Uncertain number of atomic stereocenters: 0
13. Determined number of chemical bond stereocenters: 0
14. Uncertain number of chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
1. Use and store according to specifications, no decomposition will occur, and avoid contact with oxides.
2.Odorless, bitter taste, It gradually changes color when exposed to light and heat.
Storage method
Brown glass bottle with light-sealed packaging. Store in low temperature and dry place.
Synthesis method
1. Extract the crude drug Saxifraga from rock cabbage as raw material. The specific process route is as follows: 
Purpose
1. It is an antitussive and expectorant drug, used to treat chronic bronchitis.
