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 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.
