Cloperastine

C20H24ClNOCAS 3703-76-2329.87 g/mol

Open in Covalent MOL file
ClON
Aryl halideEtherTertiary amine

Properties

Molecular formula
C20H24ClNO
Molar mass
329.87 g/mol
Exact mass
329.1546 Da
Boiling point
179 °C
logP
4.93Crippen estimate
Polar surface area
12.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
6

Hazards

Warning
Irritant (GHS07)Environmental Hazard (GHS09)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P271, P273, P304+P340, P319, P391, P403+P233, P405, P501

Identifiers

CAS number
3703-76-2
SMILES
Clc1ccc(C(OCCN2CCCCC2)c2ccccc2)cc1
InChIKey
FLNXBVJLPJNOSI-UHFFFAOYSA-N
InChI
InChI=1S/C20H24ClNO/c21-19-11-9-18(10-12-19)20(17-7-3-1-4-8-17)23-16-15-22-13-5-2-6-14-22/h1,3-4,7-12,20H,2,5-6,13-16H2

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Names and synonyms

6 names
  • Piperidine, 1-[2-[(4-chlorophenyl)phenylmethoxy]ethyl]-
  • Piperidine, 1-[2-[(p-chloro-α-phenylbenzyl)oxy]ethyl]-
  • 1-[2-[(4-Chlorophenyl)phenylmethoxy]ethyl]piperidine
  • 1-[2-[(p-Chloro-α-phenylbenzyl)oxy]ethyl]piperidine
  • p-Chlorobenzhydryl 2-(1-piperidyl)ethyl ether
  • (±)-Cloperastine

Work with Cloperastine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Cloperastine hydrochloride14984-68-0Salt Cloperastine fendizoate85187-37-7Salt

Similar compounds

Vanoxerine dihydrochloride67469-78-752 % similar Pitolisant362665-56-350 % similar Diphenhydramine58-73-150 % similar (±)-Hydroxyzine68-88-248 % similar Diphenhydramine hydrochloride147-24-047 % similar Hydroxyzine hydrochloride2192-20-345 % similar 4-((4-Chlorophenyl)phenylmethyl)-1-piperazineethanol109806-71-545 % similar (-)-Cetirizine130018-77-844 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook