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Lanicor

HCID 3062
ノート反応
基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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基本情報

CAS
1380169-08-3
標準SMILES
CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C(C7=CC(=O)OC7)CCC65O)C4)OC3C)OC2C)CC(O)C1O
InChIKey
LTMHDMANZUZIPE-UHFFFAOYSA-N
分子式
C41H64O14
平均分子量
780.9 g/mol
単同位体質量
780.42960671

概要

lanoxin has been reported in Streptomyces purpurascens and Streptomyces violaceus with data available.

名称と識別子

優先名称
Lanicor
IUPAC
3-[3-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-12,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

名称と別名

Lanicor3-[3-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-12,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one3-(3-(5-(5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl)oxy-12,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta(a)phenanthren-17-yl)-2H-furan-5-oneRefChem:798432CogoxinDigoxin NativelleCoragoxineLenoxicapsNeodioxaninCardigoxDigomalLanikor
名称をさらに表示
LanoralePurgoxinGrexinDigonDokim3-{[2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolideNSC 95100Lanoxine-PG

データベース識別子

CAS
1380169-08-3、20830-75-5

物性

構造計算による物性

XLogP
1.3
極性表面積
203 Ų
水素結合供与体数
6
水素結合受容体数
14
回転可能結合数
7
重原子数
55
形式電荷
0
複雑度
1,450

実験および物理化学的性質

Human DrugsBreast Feeding; Lactation; Milk, Human; Antiarrhythmics; Cardiac Glycosides

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。

毒性情報

TreatmentTreatment of dioxin overdose includes supportive measure and administration of the antidote, antidigoxin (DIGIBIND). Toxicity can also be treated with higher than normal doses of potassium. (L1247)
Health EffectsDigoxin mainly affects the heart. (L1247)
Exposure RoutesInjestion or dermal contact. (L1817) Absorption of digoxin from the elixir pediatric formulation has been demonstrated to be 70% to 85% complete (90% to 100% from the capsules, and 60% to 80% for tablets).
Toxicity Summary · 1 件

Digoxin binds to a site on the extracellular aspect of the alpha-subunit of the Na+/K+ ATPase pump in the membranes of heart cells (myocytes) and decreases its function. This causes an increase in the level of sodium ions in the myocytes. This effect causes an increase in the length the cardiac action potential, which when combined with the effects of digoxin on the parasympathetic nervous system, lead to a decrease in heart rate. Increased amounts of calcium are then stored in the sarcoplasmic reticulum and released by each action potential, which is unchanged by digoxin. This leads to increased contractility of the heart. Digoxin also increases vagal activity via its action on the central nervous system, thus decreasing the conduction of electrical impulses through the AV node. (L1247)

Signs and Symptoms · 1 件

Adverse affects of digoxin include loss of appetite, nausea, vomiting, diarrhea, blurred vision, visual disturbances (yellow-green halos), confusion, drowsiness, dizziness, nightmares, agitation, and/or depression, as well as a higher acute sense of sensual activities. (L1247)

Carcinogen Classification2B, possibly carcinogenic to humans. (L135)
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
Toxicity Data

化学と産業

薬理情報

Metabolism/Metabolites · 1 件

Hepatic (but not dependent upon the cytochrome P-450 system). The end metabolites, which include 3 b-digoxigenin, 3-keto-digoxigenin, and their glucuronide and sulfate conjugates, are polar in nature and are postulated to be formed via hydrolysis, oxidation, and conjugation. Route of Elimination: Following intravenous administration to healthy volunteers, 50% to 70% of a digoxin dose is excreted unchanged in the urine. Half Life: 3.5 to 5 days

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.

Agents that have a strengthening effect on the heart or that can increase cardiac output. They may be CARDIAC GLYCOSIDES; SYMPATHOMIMETICS; or other drugs. They are used after MYOCARDIAL INFARCT; CARDIAC SURGICAL PROCEDURES; in SHOCK; or in congestive heart failure (HEART FAILURE).

Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.

用途と製造

Uses · 1 件

For the treatment and management of congestive cardiac insufficiency, arrhythmias and heart failure. Digoxin is a plant toxin found in the foxglove plant (Digitalis lanata). It is used as a drug to treat various heart conditions, namely atrial fibrillation, atrial flutter and sometimes heart failure. (L1247)

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化合物ノート

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このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
PubChem CID
3062
DTXSID
DTXSID10860258
LD<sub>50</sub> = 7.8 mg/kg (orally in mice).