structural formula
business number | 014r |
---|---|
molecular formula | c12h17no9 |
molecular weight | 319.27 |
label |
l-norepinephrine bitartrate, l-norepinephrine bitartrate, c8h11no3·c4h6o6 |
numbering system
cas number:51-40-1
mdl number:none
einecs number:none
rtecs number:none
brn number:none
pubchem id:none
physical property data
none
toxicological data
1, acute toxicity: rat subcutaneous ld50: 3987 ug/kg; rat intravenous ld50: 210 ug/kg; mouse abdominal cavity ld50: 26800ug/kg; mouse vein ld50: 1025ug/kg;
2, mutagenicity: somatic mutation in mammals cellstest system: rodents – mouse lymphocytes: 100mg/l
ecological data
none
molecular structure data
none
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp):
2. number of hydrogen bond donors: 8
3. number of hydrogen bond acceptors: 10
4. number of rotatable chemical bonds: 5
5. number of tautomers: 10
6. topological molecular polar surface area (tpsa):202
7. number of heavy atoms: 22
8. surface charge: 0
9. complexity: 276
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 stereocenters of chemical bonds: 0
14. uncertain number of chemical bond stereocenters: 0
15. number of covalent bond units: 2
properties and stability
none
storage method
none
synthesis method
none
purpose
none
surface charge: 0
9. complexity: 276
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 stereocenters of chemical bonds: 0
14. uncertain number of chemical bond stereocenters: 0
15. number of covalent bond units: 2
properties and stability
none
storage method
none
synthesis method
none
purpose
none