基本情報
- CAS
346-18-9- 標準SMILES
CN1C(CSCC(F)(F)F)Nc2cc(Cl)c(S(N)(=O)=O)cc2S1(=O)=O- InChIKey
CYLWJCABXYDINA-UHFFFAOYSA-N- 分子式
- C11H13ClF3N3O4S3
- 平均分子量
- 439.9 g/mol
- 単同位体質量
- 438.9708816
概要
Crystals or white powder. (NTP, 1992)
名称と識別子
- 優先名称
- Polythiazide
- IUPAC
- 6-chloro-2-methyl-1,1-dioxo-3-(2,2,2-trifluoroethylsulfanylmethyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide
- 現地名
- ポリチアジド
- 英語名
- POLYTHIAZIDE (200 MG)
- 分子式
- C11H13ClF3N3O4S3
- 分子量
- 439.8818296
名称と別名
Renese346-18-9DrenusilNephrilPolitiazidaP-2525DTXSID6025939P 2525NSC-1081612H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-2-methyl-3-(((2,2,2-trifluoroethyl)thio)methyl)-, 1,1-dioxide36780APV5N6-Chloro-3,4-dihydro-2-methyl-3-(((2,2,2-trifluoroethyl)thio)methyl)-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
名称をさらに表示
ネフリル6-クロロ-3-[(2,2,2-トリフルオロエチル)チオメチル]-3,4-ジヒドロ-2-メチル-2H-1,2,4-ベンゾチアジアジン-7-スルホンアミド1,1-ジオキシドポリチアジドレニースレニーズレネスドレヌシル6-クロロ-3,4-ジヒドロ-2-メチル-3-[[(2,2,2-トリフルオロエチル)チオ]メチル]-2H-1,2,4-ベンゾチアジアジン-7-スルホンアミド1,1-ジオキシドポリチアジド (JAN)6-クロロ-2-メチル-7-スルファモイル-3-{[(2,2,2-トリフルオロエチル)スルファニル]メチル}-1,2,3,4-テトラヒドロ-1,2,4-ベンゾチアジアジン-1,1-ジイウム-1,1-ビス(オラート)polythiazidep2525DrenusilnephrilPOLYTHIAZIDE (200 MG)Polythiazide Solution, 100ppm
物性
構造計算による物性
- XLogP
- 2.6
- 極性表面積
- 152 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 11
- 回転可能結合数
- 4
- 重原子数
- 25
- 形式電荷
- 0
- 複雑度
- 692
実験および物理化学的性質
DrugsPharmaceuticals -> Cardiovascular system -> Diuretics
LogP
log Kow = 1.90
1.90
1.9
Color/Form
WHITE, CRYSTALLINE POWDER
CRYSTALS FROM ISOPROPANOL
Solubility
less than 1 mg/mL at 68 °F (NTP, 1992)
PRACTICALLY INSOL IN WATER & CHLOROFORM; SOL IN METHANOL, ACETONE & DIMETHYLFORMAMIDE
SOL IN AQ SOLN MADE ALKALINE WITH CARBONATES OR HYDROXIDES OF ALKALI METALS
2.64e-01 g/L
Human Drugs
Breast Feeding; Lactation; Milk, Human; Antihypertensive Agents; Thiazide Diuretics
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Pharmaceuticals
DecompositionWhen heated to decomp ... emits very toxic fumes of /hydrogen chloride, hydrogen fluoride/, sulfoxides, and nitroxides.
Melting Point
396.5 °F (NTP, 1992)
202.5 °C
214 °C
Physical Description
Crystals or white powder. (NTP, 1992)
Solid
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。
GHS分類
GHS Classification
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 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-2-methyl-3-(2,2,2-trifluoroethyl)thiomethyl-, 1,1-dioxide: Does not have an individual approval but may be used under an appropriate group standard
Fire HazardsFlash point data for this material are not available, but it is probably combustible. (NTP, 1992)
Health Hazards
SYMPTOMS: Symptoms of exposure to related compounds include lethargy, muscle cramps, acidosis, gastric upset, skin rash, salivary gland obstruction, psychosis, convulsions, hyperuricemia, leukopenia, jaundice, increased hepatic decompensation in hepatic cirrhosis; photosensitization, precipitation or aggravation of diabetes mellitus; ulceration of small intestine from combined therapy with potassium chloride; hypercalcemia, and rarely glomerulonephritis, pancreatitis, thrombocytopenic pupura or agranulocytosis.
FDA Requirements
Manufacturers, packers, and distributors of drug and drug products for human use are responsible for complying with the labeling, certification, and usage requirements as prescribed by the Federal Food, Drug, and Cosmetic Act, as amended (secs 201-902, 52 Stat. 1040 et seq., as amended; 21 U.S.C. 321-392).
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity ProfilePOLYTHIAZIDE is a sulfonamide derivative. With strong reducing agents will produce hydrogen sulfide gas.
化学と産業
薬理情報
ATC Code
C - Cardiovascular system
QC - Cardiovascular system
Pharmacodynamics
As a thiazide diuretic, Polythiazide inhibits the sodium-chloride symporter which decreases solute reabsorption leading to a retention of water in the urine, as water normally follows solutes. More frequent urination is due to the increased loss of water that has not been retained from the body as a result of a concomitant relationship with sodium loss from the convoluted tubule. The short-term anti-hypertensive action is based on the fact that thiazides decrease preload, decreasing blood pressure
Mechanism of Action
As a diuretic, polythiazide inhibits active chloride reabsorption at the early distal tubule via the thiazide-sensitive Na-Cl cotransporter (TSC), resulting in an increase in the excretion of sodium, chloride, and water. Thiazides like polythiazide also inhibit sodium ion transport across the renal tubular epithelium through binding to the thiazide sensitive sodium-chloride transporter. This results in an increase in potassium excretion via the sodium-potassium exchange mechanism. The antihypertensive mechanism of polythiazide may be mediated through its action on carbonic anhydrases in the smooth muscle or through its action on the large-conductance calcium-activated potassium (KCa) channel, also found in the smooth muscle.
DOMINANT ACTION OF THIAZIDES IS TO INCR RENAL EXCRETION OF SODIUM & CHLORIDE & ACCOMPANYING VOL OF WATER. THIS EFFECT IS VIRTUALLY INDEPENDENT OF ACID-BASE BALANCE. /BENZOTHIADIAZIDE DIURETICS/
RENAL ACTIONS OF THIAZIDE DIURETICS DECR EXTRACELLULAR FLUIDS & PLASMA VOL, CARDIAC OUTPUT, & TOTAL EXCHANGEABLE SODIUM IN INDIVIDUALS WITHOUT ANY EVIDENCE OF CARDIAC FAILURE. AT THIS STAGE, SODIUM & WATER DEPLETION APPEARS TO PROVIDE ADEQUATE BASIS FOR ANTIHYPERTENSIVE EFFECT... /BENZOTHIADIAZIDE DIURETICS/
GLOMERULAR FILTRATION RATE MAY BE REDUCED BY THIAZIDES... THIS IS PRESUMABLY RESULT OF DIRECT ACTION ON RENAL VASCULATURE. ...THIAZIDES DECR RENAL EXCRETION OF CALCIUM RELATIVE TO THAT OF SODIUM, SINCE ITS REABSORPTION IS UNAFFECTED IN DISTAL NEPHRON WHEREAS THAT OF SODIUM IS BLOCKED. /BENZOTHIADIAZIDE DIURETICS/
BECAUSE HEMODYNAMIC MEASUREMENTS INDICATE THAT PERIPHERAL VASCULAR RESISTANCE IS DECR BY THIAZIDES, DIRECT ACTION OF THESE DRUGS ON ARTERIOLAR SMOOTH MUSCLE HAS BEEN SUGGESTED. /BENZOTHIADIAZIDE DIURETICS/
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