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