sodium dehydrocholate

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:145-41-5

mdl number:none

einecs number:205-652-1

rtecs number:fz2500000

brn number:none

pubchem id:none

physical property data

1. physical property data:

1. characteristics: white flaky crystalline powder.

2. melting point (℃): 198℃.

3. solubility: slightly soluble in water, chloroform, benzene, ether, soluble in alcohol, acetone and acetic acid.

toxicological data

2. toxicological data:

1, acute toxicity: rat oral ld50: 3755 mg/kg;

rat abdominal cavity ld50: 1100 mg/kg;

rat subcutaneous ld50: 2300 mg/kg;

rat intravenous ld50: 887 mg/kg;

mouse oral ld50: 2150 mg/kg;

mouse abdominal cavity ld: 1480 mg/kg;

mouse subcutaneous ld50: 1350 mg/kg;

mouse intravenous ld50: 1100 mg/kg;

rabbit vein ld50: 1 gm/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. hydrophobic parameters calculate reference value (xlogp）：2.6

2. hydrogen bonding number of donors: 1

3. hydrogen bonding number of receptors: 5

4. rotatable number of chemical bonds: 4

5. topological molecules polar surface area (tpsa）：88.5

6. heavy atoms quantity: 29

7. surface charge ：0

8. complexity ：756

3. hydrogen bonding number of receptors: 5

4. rotatable number of chemical bonds: 4

5. topological molecules polar surface area (tpsa）：88.5

6. heavy atoms quantity: 29

7. surface charge ：0

8. complexity ：756

9. isotope atomic number:0

10. determine the number of atomic stereocenters:8

11. uncertain number of atomic stereocenters:0

12. determine the number of stereocenters of chemical bonds:0

13. uncertain number of chemical bond stereocenters:0

14. number of covalent bond units: 1

properties and stability

stable under normal temperature and pressure.

storage method

save in a dry and cool place.

synthesis method

none

purpose

digestive system drug.

to; mso-margin-bottom-alt: auto; mso-list: l0 level1 lfo1; tab-stops: list 36.0pt” align=left>9. number of isotope atoms:0

10. determine the number of atomic stereocenters:8

11. uncertain number of atomic stereocenters:0

12. determine the number of stereocenters of chemical bonds:0

13. uncertain number of chemical bond stereocenters:0

14. number of covalent bond units: 1

properties and stability

stable under normal temperature and pressure.

storage method

save in a dry and cool place.

synthesis method

none

purpose

digestive system drug.

mily: 宋体; mso-ascii-font-family: ‘times new roman’; mso-hansi-font-family: ‘times new roman'”>digestive system drugs.