atropine

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:52-88-0

mdl number:mfcd00050294

einecs number:200-156-1

rtecs number:ck2800000

brn number:none

pubchem id:none

physical property data

none yet

toxicological data

1, acute toxicity: human intramuscular tdlo: 2ug/kg; rat oral ld50: 28mg/kg; rat oral oral ld50: 1902 mg/kg; mouse oral ld50: 1320mg/kg;
mouse abdominal cavity ld50: 9mg/kg; mouse vein ld50: 9300ug/kg; guinea pig subcutaneous ld50: 95mg/ kg; pigeon subcutaneous ldlo: 40 mg/kg; frog subcutaneous ldlo ：50 mg/kg
2, reproductive toxicity: male rats subcutaneously tdlo : 5mg/kg, 1 day mating; female mice tdlo: 20g/kg, 1mating days before

ecological data

none yet

molecular structure data

none yet

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: 6

4. number of rotatable chemical bonds: 5

5. number of tautomers: none

6. topological molecule polar surface area 109

7. number of heavy atoms: 26

8. surface charge: 0

9. complexity: 406

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 3

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 yet

storage method

none yet

synthesis method

none yet

purpose

none yet

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