Atropine sulfate

Atropine sulfate structural formula

Structural formula

Business number 016V
Molecular formula C34H48N2O10S
Molecular weight 676.8
label

(8-Methyl-8-azabicyclo[3.2.1]oct-3-yl) 3-hydroxy-2-phenyl-propionate sulfate,

Atropine sulfate,

Atropine sulfate

Numbering system

CAS number:55-48-1

MDL number:None

EINECS number:200-235-0

RTECS number:None

BRN number:None

PubChem number:24860195

Physical property data

1. Characteristics: colorless crystal or White crystalline powder. Odorless. Very bitter taste. Weather in dry air. Highly toxic.


2. Density (g/mL,25/4): Undetermined


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


4. Melting point (ºC): Undetermined


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


6. Boiling point (ºC,5.2kPa): Not determined


7. Refractive index: Undetermined


8. Flashpoint (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. Oil and water (octanol/Log value of the partition coefficient (water): undetermined


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


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


19. Solubility: 1g Dissolved in 0.4ml water , 2.5mlboiling ethanol, 5mlethanol, 2.5mlglycerol, 420mlchloroform, 3000mlether.

Toxicological data

None

Ecological data

None

Molecular structure data

None

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP):


2. Number of hydrogen bond donors: 4


3. Number of hydrogen bond acceptors: 12


4. Number of rotatable chemical bonds: 10


5. Number of tautomers:


6. Topological molecular polar surface area (TPSA):174


7. Number of heavy atoms: 47


8. Surface charge: 0


9. Complexity: 434


10. Number of isotope atoms: 0


11. Determine the number of atomic stereocenters: 0


12. The number of uncertain atomic stereocenters: 6


13. Determine the number of stereocenters of chemical bonds: 0


14. Uncertain number of chemical bond stereocenters: 0


15. Number of covalent bond units: 3

Properties and stability

None

Storage method

Save in sealed and protected form.

Synthesis method

None

Purpose

Biochemical research. Used for post-holiday anticholinergic drugs; visceral colic and rescue of infection, toxic shock and organophosphorus pesticide poisoning.

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