기본 정보
- 표준 SMILES
Cl.Clc1ccc(C(OCCN2CCCCC2)c2ccccc2)cc1- InChIKey
UNPLRYRWJLTVAE-UHFFFAOYSA-N- 분자식
- C20H25Cl2NO
- 평균 분자량
- 366.3 g/mol
- 단동위원소 질량
- 365.1313198
이름 및 식별자
- 우선 이름
- Cloperastine Hydrochloride
- IUPAC
- 1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]piperidine;hydrochloride
이름 및 동의어
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
이름 더 보기
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
데이터베이스 식별자
- CAS
14984-68-0、3703-76-2- PubChem CID
- 161104
- DTXSID
DTXSID5045413- ChEMBL
CHEMBL1492516- ChEBI
CHEBI:31420- UNII
- PI4N7C63ND
- EC Number
- 239-067-8
물성
구조 계산 물성
- 극성 표면적
- 12.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 318
실험 및 물리화학적 성질
Collision Cross Section180.4 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
안전 및 규제
GHS 분류
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.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
독성 정보
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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