scopolamine butyrate

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: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.