オキサトミド

Oxatomide

HCID 4615CAS 60607-34-3

基本情報

標準SMILES
O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIKey
BAINIUMDFURPJM-UHFFFAOYSA-N
分子式
C27H30N4O
平均分子量
426.6 g/mol
単同位体質量
426.24196158

概要

Oxatomide is a member of the class of benzimidazoles that is 1,3-dihydro-2H-benzimidazol-2-one substituted by a 3-[4-(diphenylmethyl)piperazin-1-yl]propyl group at position 1. It is an anti-allergic drug. It has a role as a geroprotector, a H1-receptor antagonist, a serotonergic antagonist, an anti-allergic agent and an anti-inflammatory agent. It is a member of benzimidazoles, a N-alkylpiperazine and a diarylmethane.

名称と識別子

優先名称
Oxatomide
IUPAC
3-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1H-benzimidazol-2-one
現地名
オキサトミド
英語名
Oxatomide
分子式
C27H30N4O
分子量
426.55

名称と別名

oxatomide60607-34-3TinsetCeltectOxatimideOxatomidaOxatomidumKW-4354CobionaDastenR-35443DTXSID4045181
名称をさらに表示
1-[3-[4-(ジフェニルメチル)ピペラジン-1-イル]プロピル]-1,3-ジヒドロ-2H-ベンゾイミダゾール-2-オンデルトーマオキサトミドセキタールデルトーマ-D.S.3-[3-[4-(ジフェニルメチル)ピペラジノ]プロピル]-1H-ベンゾイミダゾール-2(3H)-オンセルマレンペペシンライセルテックアムゼントヒシレタンオキロットガーランドセドリプスメクテクトオキサテクトオキサトーワ-DSスパクリットランゲラーテイワトミドTinseTruxar35443CenacertFensedyl
1-[3-[4-(Diphenylmethyl)-1-piperazinyl]propyl]-1,3-dihydro-2H-benzimidazol-2-oneR 35,443J31IL9Z2EENSC-309710CHEBI:319431-(3-(4-(Diphenylmethyl)-1-piperazinyl)propyl)-1,3-dihydro-2H-benzimidazol-2-one1-(3-(4-(Diphenylmethyl)-1-piperazinyl)propyl)-2-benzimidazolinone2H-Benzimidazol-2-one, 1-(3-(4-(diphenylmethyl)-1-piperazinyl)propyl)-1,3-dihydro-

データベース識別子

CAS
60607-34-3
PubChem CID
4615
DTXSID
DTXSID4045181
ChEMBL
CHEMBL13828
ChEBI
CHEBI:31943
UNII
J31IL9Z2EE
EC Number
262-320-9
Nikkaji
J18.379B

物性

構造計算による物性

XLogP
4.1
極性表面積
38.8 Ų
水素結合供与体数
1
水素結合受容体数
3
回転可能結合数
7
重原子数
32

実験および物理化学的性質

DrugsPharmaceuticals -> Listed in ZINC15
LogP2.73

物理化学的性質

融点
153.6 C · 153.60C
沸点
541.98 °C · 541.98°C (rough estimate)
比重(密度)
1.1239 · 1.1239 (rough estimate)
屈折率
1.6 · 1.6000 (estimate)
貯蔵温度
Refrigerator
溶解性
DMSO:可溶

化学的性質

化学的特性White Powder

安全と法規制

GHS分類

GHS Classification · 4 件

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 46 reports by companies from 1 notifications to the ECHA C&L Inventory.

危険有害性情報

Other Safety InformationIMAP assessments - 2H-Benzimidazol-2-one, 1-[3-[4-(diphenylmethyl)-1-piperazinyl]propyl]-1,3-dihydro-: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (100%)

毒性情報

Drug Induced Liver Injury · 4 件

Drug-Induced Liver Injury Severity and Toxicity (DILIst)

Oxatomide

DILI Positive

DOI:10.1016/j.drudis.2019.09.022

安全データ

wgk
3
rtecs
DE2276000
毒性
LD50 in guinea pigs, mice, rats (mg/kg): 320, >2560, >2560 orally; 23, 27, 30 i.v. (Richards)
risk_code
22-36/37/38
hazard_code
Xn,Xi
safety_code
26-36

化学と産業

薬理情報

ATC Code · 2 件

R - Respiratory system

QR - Respiratory system

MeSH Pharmacological Classification · 3 件

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.

Agents that are used to treat allergic reactions. Most of these drugs act by preventing the release of inflammatory mediators or inhibiting the actions of released mediators on their target cells. (From AMA Drug Evaluations Annual, 1994, p475)

Drugs that are used to treat asthma.

Metabolite PathwaysOxatomide H1-Antihistamine Action

応用分野

用途生理研究用、アレルギー疾患の発症機構の研究。

用途抗ヒスタミン作用及びケミカ ルメディエーター遊離抑制作用を示します。

サプライヤー50 社

北京华美互利生物化工010-56205725 · [email protected]
艾吉析科技(上海)有限公司17717235263 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

関連反応

22 件

関連ノート

読み込み中…