scopolamine butyrate
structural formula
| business number | 03xv |
|---|---|
| molecular formula | c21h30brno4 |
| molecular weight | 440.37 |
| label |
hyoscyamine hydrobromide, antispasmodic spirit, scopolamine bromide, (-)-n-butylscopolamine bromide |
numbering system
cas number:149-64-4
mdl number:mfcd00078561
einecs number:205-744-1
rtecs number:ym3500000
brn number:none
pubchem number:24277872
physical property data
1. physical property data:
1.properties: white or off-white crystalline powder
2.melting point (ºc): 142-144 ºc
4.specific curl: -18 to -20 (0.1g/ml）
3.solubility: easily soluble in chloroform, water, slightly soluble in ethanol.
toxicological data
2. toxicological data:
1, acute toxicity: rat oral ld50: 1040 mg/kg;
rat subcutaneous ld50: 450 mg/kg;
rat intravenous ld50: 24 mg/kg;
mouse oral ld50: 1170 mg/kg;
mouse abdominal cavity ld50: 65 mg/kg;
mouse subcutaneous ld50: 243 mg/kg;
mouse intravenous ld50: 10300 ug/kg.
ecological data
3. ecological data:
other harmful effect: this substance may be harmful to the environment, and special attention should be paid to water bodies.
molecular structure data
none
compute chemical data
4. calculated chemical data:
1. hydrogen bonding number of donors: 1
2. hydrogen bonding number of receptors: 5
3. rotatable number of chemical bonds: 8
4. topological molecules polar surface area (tpsa）：59.1
5. heavy atoms quantity: 27
6. surface charge ：0
7. complexity ：500
8. isotope atomic number:0
9. 3 , number of rotatable chemical bonds:8
4. topological molecules polar surface area (tpsa）：59.1
5. heavy atoms quantity: 27
6. surface charge ：0
7. complexity ：500
8. isotope atomic number:0
9. determine the number of atomic stereocenters:3
10. uncertain number of atomic stereocenters:2
11. determine the number of stereocenters of chemical bonds:0
12. uncertain number of chemical bond stereocenters:0
13. number of covalent bond units: 2
properties and stability
stable under normal temperature and pressure.
storage method
seal and store in a dry and cool place.
synthesis method
white mandala from solanaceae fabric(datura metm l) extracted from the dried flowers (alpinia officinale).
purpose
pharmaceutical raw materials.
scii-font-family: arial; mso-hansi-font-family: arial; mso-bidi-font-family: arial”>determine the number of atomic stereocenters:3
10. uncertain number of atomic stereocenters:2
11. determine the number of stereocenters of chemical bonds:0
12. uncertain number of chemical bond stereocenters:0
13. number of covalent bond units: 2
properties and stability
stable under normal temperature and pressure.
storage method
seal and store in a dry and cool place.
synthesis method
white mandala from solanaceae fabric(datura metm l) extracted from the dried flowers (alpinia officinale).
purpose
pharmaceutical raw materials.
