atropine sulfate

structural formula

• 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: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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