基本情報
- CAS
338393-24-1- 標準SMILES
CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1- InChIKey
MJJALKDDGIKVBE-UHFFFAOYSA-N- 分子式
- C32H39NO2
- 平均分子量
- 469.7 g/mol
概要
Ebastine is an organic molecular entity.
名称と識別子
- 優先名称
- Ebastine
- IUPAC
- 4-(4-benzhydryloxypiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-one
- 英語名
- Ebastine-D5
- 分子式
- C32H39NO2
- 分子量
- 469.65756
名称と別名
ebastine90729-43-4KestineEbastinaEbastinumRP 64305DTXSID6046472LAS-W-090TQD7Q784P1RP-64305DTXCID40264724-Diphenylmethoxy-1-(3-(4-tert-butylbenzoyl)propyl)piperidine
名称をさらに表示
Kestine-d5Estivan-d5Ebastin-d5Ebastel-d5Ebastine-D5RP 64305-d5LAS-W 090-d5(1-[4-(1,1-Dimethylethyl)phenyl]-4-[4-(diphenyl-D5-methoxy)]-1-piperidinyl]-D5)1-[4-(1,1-Dimethylethyl)phenyl]-4-[4-(diphenyl-d5-methoxy)]-1-piperidinyl]-1-butan- one
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
データベース識別子
- CAS
338393-24-1- ChEMBL
CHEMBL305660- ChEBI
CHEBI:31528- UNII
- TQD7Q784P1
- EC Number
- 635-609-6
- Nikkaji
- J22.761G
物性
構造計算による物性
- XLogP
- 7.2
- 極性表面積
- 29.5 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 3
- 回転可能結合数
- 10
- 重原子数
- 35
- 形式電荷
- 0
- 複雑度
- 594
実験および物理化学的性質
Drugs
Pharmaceuticals -> Listed in ZINC15
Pharmaceuticals
Human DrugsBreast Feeding; Lactation; Antihistamines; Milk, Human; Nonsedating Antihistamines
物理化学的性質
- 融点
- 70 · 70-72°C
- 貯蔵温度
- Refrigerator
- 溶解性
- メタノール（わずかに加熱）
- 外見
- 個体
- 色
- 黄色から淡褐色
化学的性質
化学的特性Brown Oil
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
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.
危険有害性情報
Hazard Classes and CategoriesAquatic Chronic 4 (97.6%)
毒性情報
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
化学と産業
薬理情報
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 4-(4-tert-butylphenyl)-4-oxobutanal and Deslakylebastine.
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
用途と製造
UsesUse (kg; approx.) in Germany (2009): >100
応用分野
使用A nonsedating type histamine H1-receptor antagonist. Antihistaminic
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