diphenhydramine 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:147-24-0

mdl number:mfcd00012479

einecs number:205-687-2

rtecs number:kr7000000

brn number:none

pubchem number:24277771

physical property data

1. physical property data:

1. character：white crystalline powder.

2. melting point (ºc): 168-172ºc

3. solubility easily soluble in water, easily soluble in ethanol or chloroformsoluble, slightly soluble in acetone, very slightly soluble in ether or benzene.

toxicological data

2. toxicological data:

1, reproductive toxicity: rat oral tdlo: 1 mg/kg;

rat oral tdlo: 39 mg/kg;

mouse oral tdlo: 420 mg/kg;

mouse oral tdlo: 4200 mg/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:79.56

2. molar volume (m³/mol):249.2

3. isotonic specific volume (90.2k): 621.4

4. surface tension (dyne/cm): 38.6

5. polarizability（10^-24 cm³):31.54

compute chemical data

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

2. number of hydrogen bond donors: 1

3. hydrogen bondmso-ascii-font-family: arial; mso-hansi-font-family: arial; mso-bidi-font-family: arial”>5. molecular property data:

1. molar refractive index:79.56

2. molar volume (m³/mol):249.2

3. isotonic specific volume (90.2k): 621.4

4. surface tension (dyne/cm): 38.6

5. polarizability（10^-24 cm³):31.54

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: 2

4. number of rotatable chemical bonds: 6

5. number of tautomers: none

6. topological molecule polar surface area 12.5

7. number of heavy atoms: 20

8. surface charge: 0

9. complexity: 211

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

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.

storage method

seal and store in a dry and cool place.

synthesis method

none

purpose

this product is a derivative of ethanolamine, which can compete with the histamine released from tissues for h1 receptors on effector cells, thereby preventing the onset of allergic reactions. relieve the spasmodogenic and congestion-inducing effects of histamine. in addition, this product also has a strong anti-emetic effect.

number of isomers: 2

4. number of rotatable chemical bonds: 6

5. number of tautomers: none

6. topological molecular poles surface area 12.5

7. number of heavy atoms: 20

8. surface charge: 0

9. complexity: 211

10. number of isotope atoms: 0

11. number of determined atomic stereocenters: 0

12. number of uncertain atomic stereocenters: 0

13 .determined number of stereocenters of chemical bonds: 0

14. uncertain number of stereocenters of chemical bonds: 0

15. number of covalent bond units: 2

properties and stability

stable under normal temperature and pressure.

storage method

seal and store in a dry and cool place.

synthesis method

none

purpose

this product is a derivative of ethanolamine, which can compete with the histamine released from tissues for h1 receptors on effector cells, thereby preventing the onset of allergic reactions. relieve the spasmodogenic and congestion-inducing effects of histamine. in addition, this product also has a strong anti-emetic effect.