基本情報
- 標準SMILES
Cl.Clc1ccc(C(OCCN2CCCCC2)c2ccccc2)cc1- InChIKey
UNPLRYRWJLTVAE-UHFFFAOYSA-N- 分子式
- C20H25Cl2NO
- 平均分子量
- 366.3 g/mol
- 単同位体質量
- 365.1313198
名称と識別子
- 優先名称
- Cloperastine Hydrochloride
- IUPAC
- 1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]piperidine;hydrochloride
名称と別名
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
名称をさらに表示
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
データベース識別子
- CAS
14984-68-0、3703-76-2- PubChem CID
- 161104
- DTXSID
DTXSID5045413- ChEMBL
CHEMBL1492516- ChEBI
CHEBI:31420- UNII
- PI4N7C63ND
- EC Number
- 239-067-8
物性
構造計算による物性
- 極性表面積
- 12.5 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 2
- 回転可能結合数
- 6
- 重原子数
- 24
- 形式電荷
- 0
- 複雑度
- 318
実験および物理化学的性質
Collision Cross Section180.4 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
安全と法規制
GHS分類
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.
危険有害性情報
Hazard Classes and CategoriesAcute Tox. 4 (100%)
毒性情報
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.
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