Physostigmine

Structural formula

Business number	018N
Molecular formula	C15H21N3O2
Molecular weight	275.35
label	Eserine

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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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