Cloperastine
Basic information
- CAS
3703-76-2- Standard SMILES
Clc1ccc(C(OCCN2CCCCC2)c2ccccc2)cc1- InChIKey
FLNXBVJLPJNOSI-UHFFFAOYSA-N- Molecular formula
- C20H24ClNO
- Average molar mass
- 329.9 g/mol
- Monoisotopic mass
- 329.15464207
Overview
1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]piperidine is a diarylmethane.
Names & identifiers
- Preferred name
- Cloperastine
- IUPAC
- 1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]piperidine
- English name
- CLOPERASTINE
- Molecular formula
- C20H24ClNO
- Molecular weight
- 329.87
Names & synonyms
cloperastine3703-76-2Cloperastina1-(2-((4-chlorophenyl)(phenyl)methoxy)ethyl)piperidineCloperastinumHT-1169M5L7BXEKNSC-7586351-(2-((4-Chlorophenyl)phenylmethoxy)ethyl)piperidine1-{2-[(4-chlorophenyl)(phenyl)methoxy]ethyl}piperidineDTXSID7048532RefChem:127073
Show more names
CLOPERASTINE USP/EP/BPCloperastine (base and/or unspecified salts)p-Chlorobenzhydryl2-(1-piperidyl)-ethyl ether1-[2-[p-Chloro-phenylbenzyl)-oxy]ethy]piperidine1-[2-(p-Chloro-α-phenylbenzyloxy)ethyl]piperidine1-[2-[(p-Chloro-α-phenylbenzyl)oxy]ethyl]piperidine1-(2-((4-chlorophenyl)phenylmethoxy)ethyl)-piperidin1-[2-[[4-Chloro-α-(phenyl)benzyl]oxy]ethyl]piperidine
1-(2-((4-chloro-alpha-phenylbenzyl)oxy)ethyl)piperidineDTXCID4027999R05DB21223-042-31-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]piperidineCloperastine [INN]EINECS 223-042-3Piperidine, 1-[2-[(4-chlorophenyl)phenylmethoxy]ethyl]-
Database identifiers
- CAS
3703-76-2- PubChem CID
- 2805
- DTXSID
DTXSID7048532- ChEMBL
CHEMBL415087- ChEBI
CHEBI:94448- UNII
- 69M5L7BXEK
- EC Number
- 223-042-3
- Nikkaji
- J3.407J
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 318
Experimental & physicochemical properties
Human DrugsBreast Feeding; Lactation; Milk, Human; Antihistamines; Antitussive Agents
Boiling Point178-180
Collision Cross Section171.56 Ų [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Boiling point
- 0.06 · bp0.06 172-174°; bp0.15 178-180°
- Density
- 1.0383 · 1.0383 (rough estimate)
- refractive index
- 1.579 · 1.5790 (estimate)
- pka
- 8.69 · 8.69±0.10(Predicted)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 69 M5L7BXEK · 69M5L7BXEK
- ATC code
- 5 DB21 · R05DB21
- Toxicity
- 50 unreported · LD50 unreported in guinea pig: 439mg/kg
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H336 (100%): May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects]
P261, P271, P273, P304+P340, P319, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSTOT SE 3 (100%)
Toxicology
Drug Induced Liver Injury
Drug-Induced Liver Injury Severity and Toxicity (DILIst)
Cloperastine
DILI Positive
DOI:10.1016/j.drudis.2019.09.022
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
Safety data
- Toxicity
- LD50 unreported in guinea pig: 439mg/kg
Chemistry & industry
Pharmacology
ATC Code
R05DB21
R - Respiratory system
QR - Respiratory system
Applications
UsesCloperastine Hydrochloride (C587213) is an anti-tussive drug as an over-the-counter cold medicine.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: 1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]piperidine is a diarylmethane.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…