structural formula

business number	018v
molecular formula	c15h21n3o2 ·c7h6o3
molecular weight	413.5
label	physostigmine salicylate, physostigmine salicylate salt

• 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:57-64-7

mdl number:mfcd00135659

einecs number:200-343-8

rtecs number:3900576

brn number:tj2450000

pubchem number:24869126

physical property data

none

toxicological data

1, acute toxicity: human intravenous tdlo: 14ug/kg; rat subcutaneous ld50: 2mg/kg; rat intramuscularld50: 1280ug/kg; mouse oral ld50: .2500ug/kg;
mouse abdominal cavity ld50: 640ug/kg; mouse subcutaneous ld50: 800ug/kg; mouse vein ld50: 310ug /kg; dog subcutaneous ldlo: 1200ug/kg; cat subcutaneous ldlo ：800ug/kg;
rabbit subcutaneous ldlo: 2mg/kg; rabbit intramuscular ld50：1570ug/kg
2, reproductive toxicity: male rat abdominal cavity tdlo: 200ug/kg, 1 days before mating

ecological data

none

molecular structure data

temporarilynone

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 3

3. number of hydrogen bond acceptors: 7

4. number of rotatable chemical bonds: 3

5. number of tautomers: 8

6. topological molecule polar surface area 102

7. number of heavy atoms: 30

8. surface charge: 0

9. complexity: 535

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: 2

properties and stability

none

storage method

none

synthesis method

none

purpose

none

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