ChemSpider 2D Image | UY0704600 | C25H30ClNO5

UY0704600

  • Molecular FormulaC25H30ClNO5
  • Average mass459.962 Da
  • Monoisotopic mass459.181244 Da
  • ChemSpider ID4444526

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(+)-(2R)-2-(2-(((R)-p-Chloro-a-methyl-a-phenylbenzyl)oxy)ethyl)-1-methylpyrrolidine Fumarate (1:1)
(+)-2-[2-[(p-Chloro-α-methyl-α-phenylbenzyl)oxy]ethyl]-1-methylpyrrolidine fumarate salt
(2E)-2-Butendisäure --(2R)-2-{2-[1-(4-chlorphenyl)-1-phenylethoxy]ethyl}-1-methylpyrrolidin (1:1) [German] [ACD/IUPAC Name]
(2E)-But-2-endisäure--(2R)-2-{2-[(1R)-1-(4-chlorphenyl)-1-phenylethoxy]ethyl}-1-methylpyrrolidin(1:1)
(2R)-2-[2-[(1R)-1-(4-Chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine fumarate salt
(2R)-2-{2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl}-1-methylpyrrolidine (2E)-but-2-enedioate
(2R)-2-{2-[(1R)-1-(4-Chlorophenyl)-1-phenylethoxy]ethyl}-1-methylpyrrolidine (2E)-but-2-enedioate (1:1)
(2R)-2-{2-[1-(4-Chlorophenyl)-1-phenylethoxy]ethyl}-1-methylpyrrolidine (2E)-2-butenedioate (1:1) [ACD/IUPAC Name]
14976-57-9 [RN]
1-Methyl-2-[2-(methyl-p-chlorodiphenylmethyloxy)ethyl]pyrrolidine fumarate salt
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

19259EGQ3D [DBID]
HS 592 [DBID]
14976-57-9,15686-51-8 [DBID]
6472482 [DBID]
D00666 [DBID]
HSDB 6507 [DBID]
Prestwick_680 [DBID]
UNII:19259EGQ3D [DBID]
UNII-19259EGQ3D [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Target Organs:

      Histamine Receptor antagonist TargetMol T0147

    • Chemical Class:

      The fumaric acid salt of clemastine. An antihistamine with antimuscarinic and moderate sedative properties, it is used for the symptomatic relief of allergic conditions such as rhinitis, urticaria, co njunctivitis and in pruritic (severe itching) skin conditions. ChEBI CHEBI:3739, https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:3739

    • Bio Activity:

      7-TM Receptors Tocris Bioscience 1453
      Clemastine Fumarate is a selective histamine H1 receptor antagonist with IC50 of 3 nM. MedChem Express
      Clemastine Fumarate is a selective histamine H1 receptor antagonist with IC50 of 3 nM.; Target: Histamine H1 Receptor; Clemastine Fumarate inhibits histamine induced rise in [Ca2+]i in HL-60 cells with an IC50 of 3 nM as compared with that of chlorpheniramine or diphenhydramine with IC50 values of 20 nM and 100 nM, respectively [1]. MedChem Express HY-B0298A
      Clemastine Fumarate is a selective histamine H1 receptor antagonist with IC50 of 3 nM.;Target: Histamine H1 ReceptorClemastine Fumarate inhibits histamine induced rise in [Ca2+]i in HL-60 cells with an IC50 of 3 nM as compared with that of chlorpheniramine or diphenhydramine with IC50 values of 20 nM and 100 nM, respectively [1]. Clemastine showed a first-pass reduction in the extent of absorption, with oral bioavailability calculated as 39.2 +/- 12.4%. Extravascular distribution of drug was suggested by the high volume of distribution (799 +/- 315 L) and low Cmax (0.577 +/- 0.252 ng/mL/mg) observed at 4.77 +/- 2.26 hours after administration, and by the biphasic decline in plasma concentration. The terminal elimination half-life (t1/2) of clemastine was 21.3 +/- 11.6 hours. Steady-state concentrations of clemastine were consistent with linear pharmacokinetic processes, and clearance was unaffected by age in the range studied, or by race [2]. MedChem Express HY-B0298A
      GPCR/G protein MedChem Express HY-B0298A
      GPCR/G protein; Immunology/Inflammation; MedChem Express HY-B0298A
      H1 antagonist Tocris Bioscience 1453
      H1-receptor antagonist. Clinically-used antihistamine. Tocris Bioscience 1453
      Histamine H1 receptor TargetMol T0147
      Histamine H1 Receptors Tocris Bioscience 1453
      Histamine Receptor MedChem Express HY-B0298A
      Histamine Receptors Tocris Bioscience 1453
      Neuroscience TargetMol T0147

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

No predicted properties have been calculated for this compound.

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