Clemastine fumarate...

Clemastine fumarate CAS14976-57-9
Clemastine fumarate CAS14976-57-9
Clemastine fumarate CAS14976-57-9
Clemastine fumarate CAS14976-57-9

Clemastine fumarate CAS14976-57-9

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1 Kilogram

FOB Price:USD 7.0000 -9.0000
  • Min.Order :1 Kilogram
  • Purity: 98%
  • Payment Terms : T/T,Other

Keywords

Clemastine fumarate (+)-2-[2-[(p-Chloro-α-methyl-α-phenylbenzyl)oxy]ethyl]-1-methylpyrrolidine fumarate salt (2R)-2-{2-[1-(4-Chlorophenyl)-1-phenylethoxy]ethyl}-1-methylpyrrolidine (2E)-2-butenedioate (1:1)

Quick Details

  • Appearance:White powder
  • Application:Clemastine fumarate is a histamine H1 receptor antagonist with an IC50 of 3 nM.
  • PackAge:fiber can
  • ProductionCapacity:100|Metric Ton|Month
  • Storage:Seal and store in a cool and dry place
  • Transportation:By sea/air/land

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Details:

Density 1.097 g/cm3
Boiling point 116 °C / 24mmHg
Melting point 61 °C
Molecular formula C25H30ClNO5
Molecular weight 459.962
Flash point 211ºC
Accurate mass 459.181244
PSA 87.07000
LogP 4.75410
Appearance of white or almost white crystalline powder
Vapor pressure 1.94E-07mmHg at 25°C
Refractive index 1.553
Storage conditions Store at RT
Water solubility: insoluble; Very slightly soluble: ethanol, methanol; Insoluble: diethyl ether
Computational chemistry
1. Reference value of hydrophobic parameter calculation (XlogP) :

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond receptors: 6

4. Number of rotating chemical bonds; 8

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA); 87.1

7. Number of heavy atoms: 32

8. Surface charge: 0

9. Complexity: 495

10. Number of isotope atoms: 0

11. Determine the number of atomic constitutive centers: 2

12. Number of uncertain atomic constitutive centers: 0

13. Determine the number of chemical bond structure centers: 1

14. Number of uncertain chemical bond structure centers: 0

15. Number of covalent bond units: 2

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