verapamil hydrochloride

Structural formula

Business number	03YU
Molecular formula	C27H39N2O4Cl
Molecular weight	491.06
label	verapamil hydrochloride, alpha-[3-[[2-(3,4-dimethoxyphenyl)ethyl]methylamino]propyl]-alpha-isopropyl-3,4-dimethoxyphenylacetonitrile hydrochloride, 5-[N-(3,4-Dimethoxyphenylethyl)methylamino]-2-(3,4-dimethoxyphenyl)-2-isopropylvaleronitrile hydrochloride

• 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.