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.