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 span>
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
