2H-​1,​2,​4-​Benzothiadiazine-​7-​sulfonamide, 6-​chloro-​, 1,​1-​dioxide 6-氯-2H-1,2,4-苯并噻二嗪-7-磺酰胺-1,1-二氧化物

CAS 58-94-6 MFCD00058576

化学结构图

58-94-6
SMILES: NS(=O)(=O)c1cc2c(cc1Cl)N=CNS2(=O)=O

化学属性

Mol. FormulaC7H6ClN3O4S2
Mol. Weight295.72
Melting Point342-343 ºC
Solubility<0.1 G/100 ML AT 19.5 ºC

别名和识别编码

Chemical Name2H-​1,​2,​4-​Benzothiadiazine-​7-​sulfonamide, 6-​chloro-​, 1,​1-​dioxide
CAS Number58-94-6
Synonym 2-chloro-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-, 1,1-dioxide 2h-1,2,4-benzothiadiazine-7-sulfonamide,6-chloro-,1,1-dioxide 6-CHLORO-2H-1,2,4-BENZOTHIADIAZINE-7-SULFONAMIDE 1,1-DIOXIDE 6-Chloro-2H-1,2,4-benzothiadiazine- 6-Chloro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide 6-Chloro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide; 6-Chloro-7-sulfamoyl-2H-1,2,4-benzothiadiazine 1,1-dioxide 6-Chloro-7-sulfamoyl-2H-1,2,4-benzothiadiazine 1,1 6-Chloro-7-sulfamyl-1,2,4-benzothiadiazine 1,1-dioxide 6-Chloro-7-sulfamyl-1,2,4-benzothiadiazine-1,1-dioxide 6-chloro-7-sulfamoyl-2h-1,2,4-benzo 6-氯-2H-1,2,4-苯并噻二嗪-7-磺酰胺-1,1-二氧化物 Aldoclor Alurene CHLOROTHIAZIDE Chloriazid Chlorosal Chlorothiazid Chlorothiazide Chlorthiazide Chlortiazid Chlorurit Chlotride Chlrosal Clotride Diupres Diuresal Diuril Diurilix Diurite Diutrid Flumen Minzil Neo-Dema Neo-dema SK-Chlorothiazide Salisan Salunil Saluretil Saluric Thiazide Urinex Warduzide Yadalan chlorothiazide (INN) component of Aldoclor component of Diupres 氯噻嗪
MDL NumberMFCD00058576
PubChem Substance ID2720
EC Number200-404-9
Chemical Name Translation6-氯-2H-1,2,4-苯并噻二嗪-7-磺酰胺-1,1-二氧化物
Merck Number2168
Wiswesser Line NotationT66 BSWM ENJ HG ISZW
LabNetwork Molecule IDLN00196876
InChIInChI=1S/C7H6ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-3H,(H,10,11)(H2,9,12,13)
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分类

  • Sulfur & Selenium Compounds,
  • Heterocycles
  • {uni_hamburg} no charge; sulfur heterocycle; nitrogen heterocycle; carbocycle; aromatic; large ring; fused rings; 6ring; 10ring; 1fragment
  • Pharmaceuticals
  • Intermediates & Fine Chemicals
  • {SA} A to C, Bioactive Small Molecules, Biochemicals and Reagents, C-CH, Carbonic anhydrase, Cell Biology, Enzyme Inhibitors, Enzyme Inhibitors by Enzyme, Enzymes, Inhibitors, and Substrates
  • {SNA} A to C, Carbonic anhydrase, Enzyme Inhibitors, Enzyme Inhibitors by Enzyme, 生化试剂, 酶、抑制剂和底物

产品应用

  • Diuretic; antihypertensive.

相关文献及参考

  • Brittain, H.G., et al.: Anal. Profiles Drug Subs., 18, 33 (1989),
  • Short: III/10a Title: Structure Data of Organic Crystals: C ... C 15 Author: Schudt-Weitz, G.; Strell, I. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/10a Year: 1985 ISBN: 3-540-07834-7 ISBN: 978-3-540-07834-0 Internet Resource: DOI:10.1007/b19984 RefComment: XXII, 634 pages. Hardcover Abstract: The volume includes an alphabetical index of all substances and a separate "ring index" with all cyclic compounds.
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15
  • 1. Costanzo L.S., and Weiner, I.M., On the hypocalciuric action of chlorothiazide J. Clin. Invest. 54 , 628-637, (1974)
  • 2. Poust, R.I., et al., Effect of chlorothiazide on the pharmacokinetics of lithium in plasma and erythrocytes Psychopharmacol. Commun. 2 , 273-284, (1976) 摘要
  • Merck 14 ,2168

安全信息

RTECSDK9450000
WGK Germany2
GHS Symbol
Precautionary statements
  • P342+P311
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
Signal word Danger
Hazard statements
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled 吸入可能导致过敏或哮喘症状或呼吸困难
Hazard Codes Xn
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Safety Statements
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
Risk Statements
  • R42/43
Storage condition 2-8°C 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1386 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   27ZIAQ "Drug Dosages in Laboratory Animals - A Handbook," Rev. ed., Barnes,
   C.D., and L.G. Eltherington, Berkeley, Univ. of California Press, 1973
   Volume(issue)/page/year: -,77,1973

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1400 mg/kg
TOXIC EFFECTS :
   Peripheral Nerve and Sensation - spastic paralysis with or without sensory
   change
   Behavioral - convulsions or effect on seizure threshold
   Lungs, Thorax, or Respiration - other changes
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 134,273,1961

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 200 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   1,333,1959

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 8 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans
   Institute of Pharmacology, De Pintelaan 185, B-9000 Ghe

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 12450 mg/kg
SEX/DURATION            : female 8-22 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Newborn - delayed effects
REFERENCE :
   JCINAO Journal of Clinical Investigation.  (Rockefeller Univ. Press, 1230
   York Ave., New York, NY 10021)  V.1-    1924-  Volume(issue)/page/year:
   41,710,1962

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 3520 mg/kg
SEX/DURATION            : female 1-22 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Newborn - weaning or lactation index (e.g., #
   alive at weaning per # alive at day 4)
REFERENCE :
   ANREAK Anatomical Record.  (Alan R. Liss, Inc., 41 E. 11th St., New York, NY
   10003)  V.1-    1906/08-  Volume(issue)/page/year: 193,174,1979

其他信息

  • Sigma Aldrich:58-94-6(sigmaaldrich)
  • TCI Shanghai:氯噻嗪 Chlorothiazide,>;95.0%(T)(58-94-6)
  • 图谱信息:氯噻嗪(58-94-6)质谱(MS) 氯噻嗪(58-94-6)红外图谱(IR1) 氯噻嗪(58-94-6)红外图谱(IR2)
  • 用途一:利尿药。
  • MSDS 信息:Chlorothiazide(58-94-6).msds
  • MOL 文件:58-94-6.mol

系列性分类

  1. Life Science 生命科学
  2. Biochemicals and Reagents 生化试剂
  3. Enzymes, Inhibitors, and Substrates - Biochemicals and Reagents
  4. Enzyme Inhibitors - Enzymes, Inhibitors, and Substrates
  5. Enzyme Inhibitors by Enzyme - Enzyme Inhibitors
  6. A to C - Enzyme Inhibitors by Enzyme
  7. Carbonic anhydrase - A to C

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