シクレタニン

Cicletanine

HCID 54910

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 89943-82-8
標準SMILES: Cc1ncc2c(c1O)COC2c1ccc(Cl)cc1
InChIKey: CVKNDPRBJVBDSS-UHFFFAOYSA-N
分子式: C14H12ClNO2
平均分子量: 261.7 g/mol
単同位体質量: 261.0556563

概要

Cicletanine is an organochlorine compound.

名称と識別子

優先名称: Cicletanine
IUPAC: 3-(4-chlorophenyl)-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-ol
現地名: シクレタニン
英語名: Cicletanine
分子式: C14H12ClNO2
分子量: 261.7

名称と別名

CicletanineCycletanide89943-82-8CicletaninaCicletaninumWin 90,000Win-90000BN-1270CHG7QC509Wcicletanide3-(4-chlorophenyl)-6-methyl-1H,3H-furo[3,4-c]pyridin-7-ol3-(4-chlorophenyl)-6-methyl-1H,3H-furo(3,4-c)pyridin-7-ol

名称をさらに表示

シクレタニン3-(4-クロロフェニル)-1,3-ジヒドロ-6-メチルフロ[3,4-c]ピリジン-7-オール3-(4-クロロフェニル)-6-メチル-1H,3H-フロ[3,4-c]ピリジン-7-オール3-(4-Chlorophenyl)-1,3-dihydro-6-methylfuro[3,4-c]pyridin-7-olFuro[3,4-c]pyridin-7-ol, 3-(4-chlorophenyl)-1,3-dihydro-6-methyl-

RefChem:577124C03BX031,3-dihydro-6-methyl-7-hydroxy-3-(4-chlorophenyl)furo(3,4-d)pyridine(A+-)-BN-1270Furo(3,4-c)pyridin-7-ol, 3-(4-chlorophenyl)-1,3-dihydro-6-methyl-Tenstaten3-(4-chlorophenyl)-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-ol(R)-(-)-CICLETANINE

データベース識別子

CAS: 89943-82-8
PubChem CID: 54910
DTXSID: DTXSID70868972
ChEMBL: CHEMBL191886
ChEBI: CHEBI:135078
UNII: CHG7QC509W
EC Number: 630-329-0
Nikkaji: J55.610F

物性

構造計算による物性

XLogP: 2.4
極性表面積: 42.4 Å²
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: 1
重原子数: 18
形式電荷: 0
複雑度: 294

実験および物理化学的性質

LogP2.34

物理化学的性質

沸点: 446.3 · 446.3±45.0 °C(Predicted)
比重(密度): 1.351 · 1.351±0.06 g/cm3(Predicted)
酸解離定数(Pka): 5.37 · 5.37±0.40(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesEye Dam. 1 (100%)

安全データ

危険有害性情報: コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H318

化学と産業

薬理情報

ATC Code · 2 件

C - Cardiovascular system

QC - Cardiovascular system

MeSH Pharmacological Classification · 3 件

Agents used for the treatment or prevention of cardiac arrhythmias. They may affect the polarization-repolarization phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibers. Anti-arrhythmia agents are often classed into four main groups according to their mechanism of action: sodium channel blockade, beta-adrenergic blockade, repolarization prolongation, or calcium channel blockade.

Drugs used in the treatment of acute or chronic vascular HYPERTENSION regardless of pharmacological mechanism. Among the antihypertensive agents are DIURETICS; (especially DIURETICS, THIAZIDE); ADRENERGIC BETA-ANTAGONISTS; ADRENERGIC ALPHA-ANTAGONISTS; ANGIOTENSIN-CONVERTING ENZYME INHIBITORS; CALCIUM CHANNEL BLOCKERS; GANGLIONIC BLOCKERS; and VASODILATOR AGENTS.

Agents that promote the excretion of urine through their effects on kidney function.

応用分野

使用Antihypertensive.

サプライヤー6 社

奥夫仑医药（四川）有限公司17336178085 · [email protected]

梯尔希（南京）药物研发有限公司18012923235 · [email protected]

成都同创源医药科技有限公司028-83379370 13880556291 · [email protected]

上海万千化工有限公司18796480002 18796480002 · [email protected]

上海智乾生物科技有限公司[email protected]

化合物ノート

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