Piretanide (HCID 4849)

名称と識別子

優先名称: Piretanide
IUPAC: 4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoylbenzoic acid
現地名: ピレタニド
英語名: Piretanide
分子式: C17H18N2O5S
分子量: 362.4

名称と別名

piretanide55837-27-94-phenoxy-3-(pyrrolidin-1-yl)-5-sulfamoylbenzoic acidHOE 118Arlix4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoylbenzoic acidPiretanidumHoe-118PiretanidaDTXSID2023488S 73 4118DQ6KK6GV93

名称をさらに表示

アレリックス3-(アミノスルホニル)-4-フェノキシ-5-(1-ピロリジニル)安息香酸ピレタニドアレリクス4-フェノキシ-3-(1-ピロリジニル)-5-スルファモイル安息香酸ピレタニド (JAN)4-フェノキシ-3-(ピロリジン-1-イル)-5-スルファモイル安息香酸DiuMaxTaulizEurelixS 734118

Benzoic acid, 3-(aminosulfonyl)-4-phenoxy-5-(1-pyrrolidinyl)-S-73-4118DTXCID703488S-734118RefChem:863638C03CA03259-852-9Arelix

データベース識別子

CAS: 55837-27-9
PubChem CID: 4849
DTXSID: DTXSID2023488
ChEMBL: CHEMBL349803
ChEBI: CHEBI:32015
UNII: DQ6KK6GV93
EC Number: 259-852-9
Nikkaji: J3.520C

物性

構造計算による物性

XLogP: 2.2
極性表面積: 118 Å²
水素結合供与体数: 2
水素結合受容体数: 7
回転可能結合数: 5
重原子数: 25
形式電荷: 0
複雑度: 564

実験および物理化学的性質

LogP3.92

物理化学的性質

融点: 225 · 225-227°
沸点: 253 °C · 253°C (rough estimate)
比重(密度): 1.3049 · 1.3049 (rough estimate)
屈折率: 1.651 · 1.6510 (estimate)
貯蔵温度: 2 · 2-8°C
溶解性: 水に極めて溶けにくく、無水エタノールに溶けにくい。ポリモーフィズム (5.9) を示します。
酸解離定数(Pka): 10.22 · 10.22±0.60(Predicted)
外見: Solid
色: MeOH (aq) からの淡黄色の血小板
主な用途: 医薬品（低分子化合物）
InChI: 1S/C17H18N2O5S/c18-25(22,23)15-11-12(17(20)21)10-14(19-8-4-5-9-19)16(15)24-13-6-2-1-3-7-13/h1-3,6-7,10-11H,4-5,8-9H2,(H,20,21)(H2,18,22,23)
InChIKey: UJEWTUDSLQGTOA-UHFFFAOYSA-N
SMILES: [S](=O)(=O)(N)c1c(c(cc(c1)C(=O)O)N3CCCC3)Oc2ccccc2
CAS データベース: 55837 · 55837-27-9(CAS DataBase Reference)

化学的性質

化学的特性Pale Yellow Solid

安全と法規制

GHS分類

GHS Classification · 4 件

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

H412 (66.7%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 1 of 3 reports by companies.；There is 1 notification provided by 2 of 3 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesAquatic Chronic 3 (66.7%)

安全データ

wgk: WGK 3
毒性: LD50 in rats, mice (mg/kg): 5601, 3672 orally (Merkel)
ストレージクラス: 11 - Combustible Solids

化学と産業

薬理情報

ATC Code · 2 件

C - Cardiovascular system；C03 - Diuretics；C03C - High-ceiling diuretics；C03CA - Sulfonamides, plain；C03CA03 - Piretanide

QC - Cardiovascular system；QC03 - Diuretics；QC03C - High-ceiling diuretics；QC03CA - Sulfonamides, plain；QC03CA03 - Piretanide

MeSH Pharmacological Classification · 2 件

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

Agents that inhibit SODIUM-POTASSIUM-CHLORIDE SYMPORTERS which are concentrated in the thick ascending limb at the junction of the LOOP OF HENLE and KIDNEY TUBULES, DISTAL. They act as DIURETICS. Excess use is associated with HYPOKALEMIA and HYPERGLYCEMIA.