Basic information
- Standard SMILES
Cl.Clc1ccc(C(OCCN2CCCCC2)c2ccccc2)cc1- InChIKey
UNPLRYRWJLTVAE-UHFFFAOYSA-N- Molecular formula
- C20H25Cl2NO
- Average molar mass
- 366.3 g/mol
- Monoisotopic mass
- 365.1313198
Names & identifiers
- Preferred name
- Cloperastine Hydrochloride
- IUPAC
- 1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]piperidine;hydrochloride
Names & synonyms
Cloperastine hydrochloride14984-68-0Cloperastine HClSekiDTXSID5045413PI4N7C63NDDTXCID30254131-(2-((p-Chloro-alpha-phenylbenzyl)oxy)ethyl)piperidine hydrochloridePiperidine, 1-[2-[(4-chlorophenyl)phenylmethoxy]ethyl]-, hydrochloride (1:1)PIPERIDINE, 1-(2-((4-CHLOROPHENYL)PHENYLMETHOXY)ETHYL)-, HYDROCHLORIDE (1:1)RefChem:5777391-(2-((RS)-(4-Chlorophenyl)(phenyl)methoxy)ethyl)piperidine monohydrochloride
Show more names
239-067-81-(2-((4-Chlorophenyl)(phenyl)methoxy)ethyl)piperidine hydrochlorideMFCD00079012Cloperastine hydrochloride [JAN]1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]piperidine;hydrochlorideCloperastine (hydrochloride)1-[2-[(4-Chlorophenyl)(phenyl)methoxy]ethyl]piperidine HydrochlorideCloperastina cloridrato
Database identifiers
- CAS
14984-68-0、3703-76-2- PubChem CID
- 161104
- DTXSID
DTXSID5045413- ChEMBL
CHEMBL1492516- ChEBI
CHEBI:31420- UNII
- PI4N7C63ND
- EC Number
- 239-067-8
Properties
Computed structural properties
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 318
Experimental & physicochemical properties
Collision Cross Section180.4 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Toxicology
Effects During Pregnancy and Lactation
◉ Summary of Use during Lactation；Cloperastine is not marketed in the United States, but is available in other countries. No information is available on the clinical use of cloperastine during breastfeeding. Long-term use of cloperastine might reduce milk production or milk letdown. During long-term use, observe for signs of decreased lactation (e.g., infant insatiety, poor weight gain).；◉ Effects in Breastfed Infants；Relevant published information was not found as of the revision date.；◉ Effects on Lactation and Breastmilk；Relevant published information was not found as of the revision date.
Related reactions
2 records
Linked notes
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