Sinomenine
Structural formula
| Business number | 0382 |
|---|---|
| Molecular formula | C19H23NO4 |
| Molecular weight | 329.39 |
| label |
(9α,13α,14α)-7,8-didehydro-4-hydroxy-3,7-dimethoxy-17-methylmorphinan-6-one, aromatic compounds |
Numbering system
CAS number:115-53-7
MDL number:MFCD00134303
EINECS number:204-094-6
RTECS number:QD2170000
BRN number:None
PubChem number:24862546
Physical property data
1. Character: Undetermined
2. Density (g/mL, 25℃): Undetermined
3. Relative vapor density (g/mL,Air =1) Undetermined:
4. Melting point (ºC):219- 221
5. Boiling point (ºC,normal pressure):513
6. Boiling point (ºC,KPa)：Undetermined
7. Refractive index （n20/D）：Undetermined
8. Flashpoint (ºC): Undetermined
9. Specific optical rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (mmHg,38ºC): Undetermined
12. Saturated vapor pressure (kPa, ºC): Undetermined
13. Heat of combustion (KJ/mol): 81.5
14. Critical temperature (ºC): Undetermined
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 89.46
2. Molar volume (m3/mol）：253.1
3. isotonic specific volume (90.2K):695.9
4. Surface Tension (dyne/cm):57.1
5. Polarizability（10-24cm3):35.46
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 2.2
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 5
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: 35
6. Topological molecule polar surface area 59
7. Number of heavy atoms: 24
8. Surface charge: 0
9. Complexity: 562
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
AvoidStrong oxidizing agent.
Storage method
Tightly sealed , and stored in a cool and dry place.
Synthesis method
None
Purpose
None
1. Reference value for hydrophobic parameter calculation (XlogP): 2.2
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 5
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: 35
6. Topological molecule polar surface area 59
7. Number of heavy atoms: 24
8. Surface charge: 0
9. Complexity: 562
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
AvoidStrong oxidizing agent.
Storage method
Tightly sealed , and stored in a cool and dry place.
Synthesis method
None
Purpose
None
