
structural formula
| business number | 03pm |
|---|---|
| molecular formula | c44h56n2o8s |
| molecular weight | 773.01 |
| label |
lobelia sulfate, lobeline sulfate, aromatic compounds |
numbering system
cas number:134-64-5
mdl number:mfcd00054334
einecs number:205-151-8
rtecs number:oj8490170
brn number:none
pubchem id:none
physical property data
none
toxicological data
acute toxicity data :
mouse abdominal cavity ld50:55300ug/kg
pigeon subcutaneousldlo:54600ug/kg
ecological data
none
molecular structure data
none
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 4
3. number of hydrogen bond acceptors: 10
4. number of rotatable chemical bonds: 12
5. number of tautomers: 3
6. topological molecule polar surface area 164
7. number of heavy atoms: 55
8. surface charge: 0
9. complexity: 494
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 6
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: 3
properties and stability
none
storage method
none
synthesis method
none
purpose
none

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