基本情報
- CAS
148-56-1- 標準SMILES
NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NC=NS2(=O)=O- InChIKey
RGUQWGXAYZNLMI-UHFFFAOYSA-N- 分子式
- C8H6F3N3O4S2
- 平均分子量
- 329.3 g/mol
- 単同位体質量
- 328.97518251
概要
Flumethiazide is a benzothiadiazine.
名称と識別子
- 優先名称
- Flumethiazide
- IUPAC
- 1,1-dioxo-6-(trifluoromethyl)-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide
- 現地名
- フルメチアジド
- 英語名
- flumethiazide
- 分子式
- C8H6F3N3O4S2
- 分子量
- 329.278
名称と別名
FLUMETHIAZIDEAdemol148-56-1TrifluoromethylthiazideFlumethiazidFlumetiazidFludemilRoutraxAdemilFlumetiazidaFlumethiazidumFlumetiazide
名称をさらに表示
フルメチアジド6-トリフルオロメチル-7-スルファモイル-4H-1,2,4-ベンゾチアジアジン1,1-ジオキシド6-(トリフルオロメチル)-2H-1,2,4-ベンゾチアジアジン-7-スルホンアミド1,1-ジオキシドフルデミルアデモールトリフルオロメチルチアジドルトラックス7-スルファモイル-6-(トリフルオロメチル)-1,2-ジヒドロ-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)NSC44626NSC 446266-Trifluoromethyl-7-sulfamoyl-4H-1,2,4-benzothiazine 1,1-dioxide2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-(trifluoromethyl)-, 1,1-dioxide
Trifluoromethyl thiazide3PA0CDS0M5NSC-446266-(Trifluoromethyl)-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide6-Trifluoromethyl-7-sulfamyl-1,2,4-benzothiadiazine 1,1-dioxideDTXSID601638626-Trifluoromethyl-7-sulfamoyl-4H-1,2,4-benzothiadiazine 1,1-dioxide7-Sulfamoyl-6-trifluoromethyl-2H-1,2,4-benzothiadiazine 1,1-dioxide
データベース識別子
物性
構造計算による物性
- XLogP
- -0.2
- 極性表面積
- 135 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 9
- 回転可能結合数
- 1
- 重原子数
- 20
- 形式電荷
- 0
- 複雑度
- 617
実験および物理化学的性質
LogP0.32
Color/FormCRYSTALS
SolubilitySPARINGLY SOL IN WATER; 50 MG/ML IN BOILING WATER WITH DECOMP; PRACTICALLY INSOL IN ETHYL ACETATE, METHYL ETHYL KETONE, BENZENE, TOLUENE; SOL IN METHANOL, ETHANOL, DIMETHYL FORMAMIDE
Other Experimental PropertiesUNSTABLE IN ALKALINE SOLN, CONVERSION TO PRECURSOR ALPHA,ALPHA,ALPHA-TRIFLUORO-3-AMINO-4,6-DISULFAMOYLTOLUENE; DECOMP @ 305.4-307.8 °C
物理化学的性質
- 融点
- 306.6 °C · 306.6°C
- 沸点
- 560 · 560.0±60.0 °C(Predicted)
- 比重(密度)
- 1.6578 · 1.6578 (estimate)
- 酸解離定数(Pka)
- 6.3 · pKa 6.3(H2O) (Uncertain)
- 水溶解度
- 1.05 g/L · 1.05g/L(室温)
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
Interactions
TUBULAR TRANSPORT OF THIAZIDES MAY BE INHIBITED BY PROBENECID. /BENZOTHIADIAZIDES/
USE OF ENTERIC-COATED COMBINATIONS OF POTASSIUM CHLORIDE & THIAZIDE HAS BEEN ASSOC WITH HIGH INCIDENCE OF ULCERATION OF DISTAL JEJUNUM OR ILEUM. IT IS PREFERABLE TO PRESCRIBE PALATABLE SOLN OF POTASSIUM CHLORIDE... /BENZOTHIADIAZIDES/
...THIAZIDE DIURETICS HAVE BEEN PRESCRIBED IN COMBINATION WITH ALDOSTERONE ANTAGONIST OR OTHER POTASSIUM-SPARING DIURETIC IN ORDER TO OBTAIN ADDITIVE DIURETIC EFFECT WITH MAINTENANCE OF POTASSIUM BALANCE. /BENZOTHIADIAZIDES/
Human Toxicity Excerpts
CLINICAL TOXICITY IS RELATIVELY RARE & USUALLY RESULTS FROM UNEXPECTED HYPERSENSITIVITY. CASES HAVE BEEN REPORTED WITH PURPURA, DERMATITIS WITH PHOTOSENSITIVITY, DEPRESSION OF FORMED ELEMENTS OF BLOOD, & NECROTIZING VASCULITIS... /BENZOTHIADIAZIDES/
PLASMA URIC ACID IS FREQUENTLY ELEVATED & IN SUSCEPTIBLE PT MAY BE ASSOCIATED WITH ATTACKS OF GOUT. ... MANY OBSERVERS HAVE NOTED CORRELATION WITH HYPOKALEMIA & ALKALOSIS. INCR CONCN OF BLOOD AMMONIA HAVE BEEN REPORTED. /BENZOTHIADIAZIDES/
IN PT...WITH HYPERTENSIVE DISEASE & DECR RENAL RESERVE, MANIFESTATIONS OF RENAL INSUFFICIENCY MAY BE AGGRAVATED AFTER INTENSIVE OR PROLONGED COURSES OF THIAZIDES THAT LEAD TO EXCESSIVE DEPLETION OF FLUID & ELECTROLYTE. /BENZOTHIADIAZIDES/
IN CIRRHOSIS OF LIVER, DETERIORATIONG OF MENTAL FUNCTION, INCL ONSET OF COMA, HAS BEEN ATTRIBUTED TO THIAZIDE THERAPY. ... CHOLESTATIC HEPATITIS HAS ALSO BEEN REPORTED. THIAZIDES MAY INDUCE HYPERGLYCEMIA & AGGRAVATE PREEXISTING DIABETES MELLITUS. /BENZOTHIADIAZIDES/
安全データ
- 有毒物質データの
- 148-56-1(Hazardous Substances Data)
化学と産業
薬理情報
Mechanism of Action
INHIBITION OF CARBONIC ANHYDRASE DECR CONCN OF HYDROGEN ION AVAILABLE FOR EXCHANGE. DECR HYDROGEN-ION CONCN LEADS TO NATRIURESIS & THEREFORE DIURESIS. USE OF CARBONIC ANHYDRASE INHIBITOR DOES NOT GREATLY ALTER CHLORIDE EXCRETION. HOWEVER, THERE MAY BE MARKED POTASSIUM LOSS WITH RESULTING HYPOKALEMIA. /DIURETICS/
DOMINANT ACTION OF THIAZIDES IS TO INCR RENAL EXCRETION OF SODIUM & CHLORIDE & ACCOMPANYING VOL OF WATER. UNLIKE BOTH MERCURIALS & CARBONIC ANHYDRASE INHIBITORS, ACTION OF THIAZIDES IS VIRTUALLY INDEPENDENT OF ACID-BASE BALANCE. THIAZIDES ALSO EVOKE SIGNIFICANT AUGMENTATION OF POTASSIUM EXCRETION... /BENZOTHIADIAZIDES/
THIAZIDES ARE...SECRETED INTO TUBULAR FLUID BY ACTIVE PROCESS LOCATED IN PROXIMAL SEGMENT. ... THIAZIDES INHIBIT REABSORPTION OF SODIUM & ITS ATTENDANT ANION, CHLORIDE, IN DISTAL SEGMENT. ... AUGMENTED EXCRETION OF.../POTASSIUM/ RESULTS FROM ITS INCR SECRETION BY DISTAL TUBULE. /BENZOTHIADIAZIDES/
Absorption, Distribution and Excretion
THIAZIDES ARE ABSORBED FROM GASTROINTESTINAL TRACT & OWE THEIR USEFULNESS LARGELY TO THEIR EFFECTIVENESS BY ORAL ROUTE. ABSORPTION IS RELATIVELY RAPID. ... DRUG PASSES READILY THROUGH PLACENTAL BARRIER TO FETUS. ... MOST COMPD ARE RAPIDLY EXCRETED WITHIN 3-6 HR. /BENZOTHIADIAZIDES/
用途と製造
Uses
CARBONIC ANHYDRASE INHIBITOR
MEDICATION
Methods of ManufacturingHOLDREDGE ET AL, J AM CHEM SOC 81, 4807 (1959); YALE ET AL, IBID, 82, 2042 (1960); US PATENT 3,040,042 (1962 TO OLIN MATHIESON); BRITISH PATENT 861,809 (1961 TO SK&F).
General Manufacturing InformationMOST COMPD OF THIS GROUP ARE ANALOGS OF 1,2,4-BENZOTHIADIAZINE-1,1-DIOXIDE... AS GROUP THEY CAN BE DESIGNATED AS "BENZOTHIADIAZIDE," OR "THIAZIDE," DIURETICS. /BENZOTHIADIAZIDES/
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