dextromethorphan dextromethorphan

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:125-71-3

mdl number:mfcd00866833

einecs number:none

rtecs number:none

brn number:none

pubchem id:none

physical property data

none

toxicological data

acute toxicity data

children’s oral administration tdlo: 16mg/kg

rat oral ld50: 116mg/kg

rat veinld50: 16286ug/kg

mouse oral ld50: 210mg/kg

small tree skinld50: 112mg/kg

dog intravenous ldlo: 22 mg/kg

ecological data

none

molecular structure data

5. molecular property data:

1. molar refractive index: 81.76

2. molar volume (m³/mol）：243.8

3. isotonic specific volume (90.2k):631.2

4. surface tension (dyne/cm):44.9

5. polarizability（10^-24cm³):32.41

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 1

5. number of tautomers: none

6. topological molecule polar surface area 12.5

7. number of heavy atoms: 20

8. surface charge: 0

9. complexity: 370

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 3

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: 1

properties and stability

none

storage method

none

synthesis method

none

purpose

uses: antitussive.

2. the number of uncertain stereocenters of atoms: 0

13. the number of determined stereocenters of chemical bonds: 0

14. the number of uncertain stereocenters of chemical bonds: 0

15. number of covalent bond units: 1

properties and stability

none

storage method

none

synthesis method

none

purpose

uses: antitussive.