Epoprostenol Sodium

HCID 6364626CAS 61849-14-7

基本情報

標準SMILES: CCCCC[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)[O-])O[C@H]2C[C@H]1O.[Na+]
InChIKey: LMHIPJMTZHDKEW-XQYLJSSYSA-M
分子式: C20H31NaO5
平均分子量: 374.4 g/mol
単同位体質量: 374.20691837

概要

Epoprostenol Sodium is the sodium salt form of epoprostenol, a synthetic prostacyclin, a member of the family of prostaglandins, with vasodilatory and anticoagulant activity. Epoprostenol sodium directly simulates prostaglandin receptors in arterial vascular smooth muscle, thereby causing vasodilatation. This agent also inhibits platelet aggregation by antagonizing platelet glycoprotein (GP) IIb/IIIa receptors, thereby preventing thrombus formation.

名称と識別子

優先名称: Epoprostenol Sodium
IUPAC: sodium (5Z)-5-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoate

名称と別名

Epoprostenol sodium61849-14-7Prostacyclin sodium saltCyclo-ProstinSodium prostacyclinDTXSID30466174K04IQ1OF4U-53217AU-53,217ADTXCID1026617Prosta-5,13-dien-1-oic acid, 6,9-epoxy-11,15-dihydroxy-, sodium salt, (5Z,9alpha,11alpha,13E,15S)-RefChem:57240

名称をさらに表示

263-273-7Sodium(Z)-(3aR,4R,5R,6aS)-hexahydro-5-hydroxy-4-((E)-(3S)-3-hydroxy-1-octenyl)-2H-cyclopenta(b)furan-delta(sup 2,delta)-valerateFlolanProstacyclin sodiumSodium (Z)-5-((3aR,4R,5R,6aS)-5-hydroxy-4-((S,E)-3-hydroxyoct-1-en-1-yl)hexahydro-2H-cyclopenta[b]furan-2-ylidene)pentanoateC20H31NaO5sodium;(5Z)-5-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoateEpoprostenol sodium [USAN:BAN]

データベース識別子

CAS: 61849-14-7
PubChem CID: 6364626
DTXSID: DTXSID3046617
ChEMBL: CHEMBL962
UNII: 4K04IQ1OF4
EC Number: 263-273-7
Nikkaji: J18.157I

物性

構造計算による物性

極性表面積: 89.8 Å²
水素結合供与体数: 2
水素結合受容体数: 5
回転可能結合数: 10
重原子数: 26
形式電荷: 0
複雑度: 491

実験および物理化学的性質

Human Drugs · 2 件

FDA approved drugs -> Active ingredient

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (97.4%)

毒性情報

Drug Induced Liver Injury · 6 件

Drug Induced Liver Injury Rank (DILIrank 2.0)

Epoprostenol sodium

Ambiguous-DILI-concern

Adverse reactions

DOI:10.1016/j.drudis.2016.02.015

化学と産業

薬理情報

MeSH Pharmacological Classification · 2 件

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.

Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.