기본 정보
- CAS
90729-43-4- 표준 SMILES
CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1- InChIKey
MJJALKDDGIKVBE-UHFFFAOYSA-N- 분자식
- C32H39NO2
- 평균 분자량
- 469.7 g/mol
- 단동위원소 질량
- 469.29807949
개요
Ebastine is an organic molecular entity.
이름 및 식별자
- 우선 이름
- Ebastine
- IUPAC
- 4-(4-benzhydryloxypiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-one
- 현지명
- 에바스티안
- 영어명
- Ebastine
- 분자식
- C32H39NO2
- 분자량
- 469.66
이름 및 동의어
ebastine90729-43-4KestineEbastinaEbastinumRP 64305DTXSID6046472LAS-W-090TQD7Q784P1RP-64305DTXCID40264724-Diphenylmethoxy-1-(3-(4-tert-butylbenzoyl)propyl)piperidine
이름 더 보기
에바스티안LAS-90EbasineEVASTEL
RefChem:590526R06AX221-(4-(1,1-Dimethylethyl)phenyl)-4-(4-(diphenylmethoxy)piperidin-1-yl)butan-1-one635-609-6EbastelEbastinEstivan4-(4-(benzhydryloxy)piperidin-1-yl)-1-(4-(tert-butyl)phenyl)butan-1-one
데이터베이스 식별자
- CAS
90729-43-4- PubChem CID
- 3191
- DTXSID
DTXSID6046472- ChEMBL
CHEMBL305660- ChEBI
CHEBI:31528- UNII
- TQD7Q784P1
- EC Number
- 635-609-6
- Nikkaji
- J22.761G
물성
구조 계산 물성
- XLogP
- 7.2
- 극성 표면적
- 29.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 594
실험 및 물리화학적 성질
Drugs
Pharmaceuticals
Pharmaceuticals -> Listed in ZINC15
Human DrugsBreast Feeding; Lactation; Antihistamines; Milk, Human; Nonsedating Antihistamines
물리화학적 성질
- 녹는점
- 80 · 80-82°C
- 끓는 점
- 596.3 · 596.3±50.0 °C(Predicted)
- 밀도
- 1.09 · 1.09±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 클로로포름, 메탄올에 약간 용해됩니다.
- 산도 계수 (pKa)
- 8.19 · 8.19±0.10(Predicted)
- 물리적 상태
- 고체
- 색상
- 하얀색
- Merck
- 14 · 14,3484
- InChIKey
- MJJALKDDGIKVBE-UHFFFAOYSA-N
- SMILES
- C(C1=CC=C(C(C)(C)C)C=C1)(=O)CCCN1CCC(OC(C2=CC=CC=C2)C2=CC=CC=C2)CC1
화학적 성질
White to Off-White Powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
H413 (97.6%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAquatic Chronic 4 (97.6%)
독성 정보
Drug Induced Liver Injury
Drug-Induced Liver Injury Severity and Toxicity (DILIst)
EBASTINE
DILI Positive
DOI:10.1016/j.drudis.2019.09.022
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
안전 데이터
- wgk
- 3
- rtecs
- EL8140000
- HS 번호
- 2933.39.9200
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
ATC Code
R06AX22
R - Respiratory system
QR - Respiratory system
Mechanism of ActionEbastine is a second-generation antihistamine that acts as a selective histamine H1-receptor antagonist to relieve allergic symptoms.
Metabolism/MetabolitesEbastine has known human metabolites that include Deslakylebastine and 4-(4-tert-butylphenyl)-4-oxobutanal.
MeSH Pharmacological Classification
Drugs that selectively bind to but do not activate histamine H1 receptors, thereby blocking the actions of endogenous histamine. Included here are the classical antihistaminics that antagonize or prevent the action of histamine mainly in immediate hypersensitivity. They act in the bronchi, capillaries, and some other smooth muscles, and are used to prevent or allay motion sickness, seasonal rhinitis, and allergic dermatitis and to induce somnolence. The effects of blocking central nervous system H1 receptors are not as well understood.
Cellular LocationsMembrane
Metabolite PathwaysEbastine H1-Antihistamine Action
용도 및 제조
UsesUse (kg; approx.) in Germany (2009): >100
응용 분야
개요Ebastine is a new once-daily histamine Hl-receptor antagonist with no sedative effects or autonomic impairment at therapeutic doses. It is reported to be effective in the treatment of hay fever, perennial rhinitis, and uticaria. Ebastine's antihistamine activity is attributed to its carboxylic acid metabolite carebastine.
Ebastine is a second-generation H1 receptor antagonist that is indicated mainly for allergic rhinitis and chronic idiopathic urticaria. It is available in 10 and 20 mg tablets and as fast-dissolving tablets, as well as in pediatric syrup. It has a recommended flexible daily dose of 10 or 20 mg, depending on disease severity.
관련 반응
3건
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