Structural formula
| Business number | 018N |
|---|---|
| Molecular formula | C15H21N3O2 |
| Molecular weight | 275.35 |
| label |
Eserine |
Numbering system
CAS number:57-47-6
MDL number:MFCD00151090
EINECS number:200-332-8
RTECS number:TJ2100000
BRN number:91230
PubChem number:24277867
Physical property data
1. Character: Colorless rhombic prism or flake crystal.
2. Density (g/mL,25/4℃): Undetermined
3. Relative vapor density (g/mL,AIR=1): Undetermined
4. Melting point (ºC):105~106℃ (there are also unstable low-melting point products, as 86～87℃)
5. Boiling Point (ºC,Normal pressure): Undetermined
6. Boiling Point (ºC,5.2kPa): Undetermined
7. Refractive Index: Undetermined
8. Flash Point (ºC ): Undetermined
9. Specific rotation (º):[α ]D17 －76°（C＝1.3, in chloroform), [α]D25 －120°（C＝1, in benzene )
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa,25ºC): Undetermined
12. saturated vapor pressure (kPa,60ºC): Undetermined
13. Burning Heat (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical Pressure (KPa): Undetermined
16. Oil and water (octanol/Log value of partition coefficient for water: undetermined
17. Explosion limit (%,V/V): Undetermined
18. Explosion lower limit (%,V/V): Undetermined
19. Solubility: Soluble in ethanol, benzene, chloroform and oil, slightly soluble in water.
Toxicological data
None
Ecological data
None
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 77.18
2. Molar volume (m3/mol）：236.0
3. isotonic specific volume (90.2K):602.3
4. Surface Tension (dyne/cm):42.3
5. Polarizability(10-24cm3): 30.59
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: 2
6. Topological molecule polar surface area 44.8
7. Number of heavy atoms: 20
8. Surface charge: 0
9. Complexity: 403
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 2
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
This product should be sealed and stored in a cool, dark place.
Synthesis method
Physostigmine can be extracted from physostigmine seeds and processed with salicylic acid. It can also be synthesized artificially.
Purpose
Biochemical research. It can inhibit cholinesterase and excite smooth muscle and striated muscle. It can narrow pupils and reduce intraocular pressure, and is mainly used for glaucoma. The effect is stronger and more durable than pilocarpine.
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