(-)-(r)-adrenaline hydrogenated tartrate monohydrate

structural formula

• 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: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. the number of uncertain 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

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