verapamil hydrochloride

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:152-11-4

mdl number:mfcd00055208

einecs number:205-800-5

rtecs number:yv8320000

brn number:3647093

pubchem number:24277881

physical property data

1. physical property data:

1. melting point (ºc): 142ºc

toxicological data

2. toxicological data:

1, acute toxicity: rat oral ld50: 108 mg/kg;

rat abdominal cavity ld50: 60 mg/kg;

rat subcutaneous ld50: 107 mg/kg;

rat intravenous ld50: 16 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

5. molecular property data:

1. molar refractive index:131.86

2. molar volume (m³/mol):429.3

3. isotonic specific volume (90.2k): 1063.9

4. surface tension (dyne/cm): 37.6

5. polarizability（10^-24cm³): 52.27

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 6

4. number of rotatable chemical bonds: 13

5. number of tautomers: none

6. topological molecule polar surface area 64

7. number of heavy atoms: 34

8. surface charge: 0

9. complexity: 606

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 1

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 2

properties and stability

stable under normal temperature and pressure.

incompatible materials:strong oxidizing agent

storage method

seal and store in a dry and cool place.

synthesis method

made from guaiacol as raw material.

purpose

mainly used for paroxysmal supraventricular tachycardia, also used for angina pectoris and hypertension and hypertrophic infarct cardiomyopathy.

s style=”font-size: 9pt; font-family: arial; mso-fareast-font-family: arial”>4. surface tension (dyne/cm): 37.6

5. polarizability（10^-24cm³): 52.27

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 6

4. number of rotatable chemical bonds: 13

5. number of tautomers: none

6. topological molecule polar surface area 64

7. number of heavy atoms: 34

8. surface charge: 0

9. complexity: 606

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 1

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 2

properties and stability

stable under normal temperature and pressure.

incompatible materials:strong oxidizing agent

storage method

seal and store in a dry and cool place.

synthesis method

made from guaiacol as raw material.

purpose

mainly used for paroxysmal supraventricular tachycardia, also used for angina pectoris and hypertension and hypertrophic infarct cardiomyopathy.