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
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 agentStorage 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 agentStorage 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.