Structural formula

Physical competition number	0152
Molecular formula	C13H22N2O6S
Molecular weight	334.4
label	Neostigmine mesylate, N,N,N-trimethyl-2-[(dimethylamino)formyloxy]anilinium methanesulfonate, 3-(N,N-Dimethylcarbamoyloxy)-N,N,N,-trimethylanilinium methyl sulfate

• 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:51-60-5

MDL number:MFCD00011796

EINECS number:200-109-5

RTECS number:CY1225000

BRN number:None

PubChem number:24897553

Physical property data

1. Character:White crystal. Odorless. Bitter taste.

2. Density (g/mL,25/4℃): Undetermined

3. Relative vapor density (g/mL,AIR=1): Undetermined

4. Melting point (oC): 142～145℃

5. Boiling point (oC,Normal pressure): Undetermined

6. Boiling point (oC,5.2kPa): Undetermined

7. Refractive index: undetermined

8. Flashpoint (oC): Undetermined

9. Specific optical 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. Oil and water (octanol/Log value of water) partition coefficient: not OK

17. Explosion limit (%,V/V): Undetermined

18. Lower explosion limit (%,V/V): Undetermined

19. Solubility: 1gProduct soluble in10mlWater, slightly soluble in ethanol.

Toxicological data

None

Ecological data

None

Molecular structure data

None

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 6

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: none

6. Topological molecule polar surface area 104

7. Number of heavy atoms: 22

8. Surface charge: 0

9. Complexity: 337

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: 2

Properties and stability

None

Storage method

None

Synthesis method

Meta-dimethylaminophenol and dimethylcarbamoyl chloride are esterified to obtain neostigmine base, and then methyl bromide is used to react to form a quaternary ammonium salt to obtain bromoxine Strytigmine. If the neostigmine base is reacted with dimethyl sulfate to form a quaternary ammonium salt, neostigmine methyl sulfate is produced.

Purpose

This product has a reversible cholinesterase inhibitory effect, resulting in acetylcholine not being enzymatically decomposed. It exists in cholinergic nerve endings for a long time and has the effect of exciting smooth muscle and skeletal muscles; it has a strong effect on skeletal muscles and has a small miotic force; it is mostly used for myasthenia gravis, postoperative abdominal distension and urinary retention, and can also be used for Detoxification of supraventricular paroxysmal tachycardia and tubocurarine overdose. Neostigmine methyl sulfate is for injection.

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