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
