Conditions | Yield |
---|---|
at 90 - 100℃; for 5h; |
chlorothiazide
6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
Conditions | Yield |
---|---|
With potassium borohydride; acetic acid In methanol at -10 - 5℃; for 4h; Reagent/catalyst; Solvent; | 93.9% |
With hydrogen; platinum(IV) oxide In ethanol |
butanoic acid anhydride
chlorothiazide
6-chloro-1,1-dioxo-1,2(4)-dihydro-1λ6-benzo[1,2,4]thiadiazine-7-sulfonic acid butyrylamide
Conditions | Yield |
---|---|
In pyridine |
chlorothiazide
acetic anhydride
6-chloro-1,1-dioxo-1,2(4)-dihydro-1λ6-benzo[1,2,4]thiadiazine-7-sulfonic acid acetylamide
Conditions | Yield |
---|---|
In pyridine |
chlorothiazide
allyl bromide
4-allyl-6-chloro-1,1-dioxo-1,4-dihydro-1λ6-benzo[1,2,4]thiadiazine-7-sulfonic acid amide
Conditions | Yield |
---|---|
(i) Na, EtOH, (ii) /BRN= 605308/; Multistep reaction; |
chlorothiazide
orthoformic acid triethyl ester
4-amino-6-chloro-benzene-1,3-disulfonic acid 1-amide 3-ethylamide
Conditions | Yield |
---|---|
(i), (ii) aq. iPrOH; Multistep reaction; |
chlorothiazide
orthoformic acid triethyl ester
N-(6-chloro-1,1-dioxo-1,2(4)-dihydro-1λ6-benzo[1,2,4]thiadiazine-7-sulfonyl)-formimidic acid ethyl ester
chlorothiazide
dimethyl sulfate
6-chloro-1,1-dioxo-1,2(4)-dihydro-1λ6-benzo[1,2,4]thiadiazine-7-sulfonic acid methylamide
Conditions | Yield |
---|---|
With sodium hydroxide |
chlorothiazide
dimethyl sulfate
6-chloro-4-methyl-1,1-dioxo-1,4-dihydro-1λ6-benzo[1,2,4]thiadiazine-7-sulfonic acid amide
Conditions | Yield |
---|---|
With sodium hydroxide |
chlorothiazide
thiophenol
4-amino-6-phenylsulfanyl-benzene-1,3-disulfonic acid diamide
Conditions | Yield |
---|---|
(i) aq. NaHCO3, (ii) aq. NaOH; Multistep reaction; |
chlorothiazide
6-chloro-1,1-dioxo-1,2(4)-dihydro-1λ6-benzo[1,2,4]thiadiazine-7-sulfonic acid formimidoylamide
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 2: NH3 View Scheme |
chlorothiazide
1,1-dioxo-6-phenylsulfanyl-1,2(4)-dihydro-1λ6-benzo[1,2,4]thiadiazine-7-sulfonic acid amide
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: (i) aq. NaHCO3, (ii) aq. NaOH 2: Heating View Scheme |
chlorothiazide
1,1-dioxo-6-phenylsulfanyl-1,2,3,4-tetrahydro-1λ6-benzo[1,2,4]thiadiazine-7-sulfonic acid amide
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: (i) aq. NaHCO3, (ii) aq. NaOH 2: aq. TsOH / methanol / Heating View Scheme |
chlorothiazide
3-benzyl-1,1-dioxo-6-phenylsulfanyl-1,2,3,4-tetrahydro-1λ6-benzo[1,2,4]thiadiazine-7-sulfonic acid amide
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: (i) aq. NaHCO3, (ii) aq. NaOH 2: aq. AcOH / methanol / Heating View Scheme |
chlorothiazide
Conditions | Yield |
---|---|
With sodium hydroxide In ethanol at 25 - 65℃; Product distribution / selectivity; |
Conditions | Yield |
---|---|
In acetone at 20℃; |
Conditions | Yield |
---|---|
In acetone at 20℃; |
Conditions | Yield |
---|---|
In acetone at 20℃; |
Conditions | Yield |
---|---|
In acetonitrile at 20℃; |
Conditions | Yield |
---|---|
In acetone at 20℃; |
Conditions | Yield |
---|---|
In acetone at 20℃; |
Conditions | Yield |
---|---|
In acetonitrile at 20℃; |
Conditions | Yield |
---|---|
In acetonitrile at 20℃; |
Conditions | Yield |
---|---|
In acetonitrile at 4℃; |
The Chlorothiazide with the cas number 58-94-6, is also called (1)2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-, 1,1-dioxide; (2)6-Chloro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide ; (3)6-Chloro-7-sulfamoyl-2H-1,2,4-benzothiadiazine 1,1-dioxide; (4) Alurene ; (5) Chlorosal ; (6) Chlorothiazid ; (7) Chlorothiazide ; (8) Chlorothiazidum ; (9) Chlorthiazid ; (10) Chlorthiazide ; (11) Chlorthiazidum ; (12) Chlortiazid ; (13) Chlorurit ; (14) Chlotride ; (15) Clorotiazida ; (16) Clorotiazide ; (17) Clotride ; (18) Diuresal ; (19) Diuril ; (20) Diuril Boluses, Veterinary ; (21) Diurilix ; (22) Diurite ; (23) Diutrid ; (24) Flumen ; (25) Minzil ; (26) Neo-dema ; (27) SK-Chlorothiazide ; (28) Salisan ; (29) Salunil ; (30) Saluretil ; (31) Saluric ; (32) Thiazide ; (33) Urinex ; (34) Warduzide ; (35) Yadalan . It belongs to the following product categories: (1)Heterocycles; (2)Intermediates & Fine Chemicals; (3)Pharmaceuticals; (4)Sulfur & Selenium Compounds and so on.
Propertes of Chlorothiazide: (1)ACD/LogP: -0.18 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): -0.3 ; (4)ACD/LogD (pH 7.4): -1.51 ; (5)ACD/BCF (pH 5.5): 1 ; (6)ACD/BCF (pH 7.4): 1 ; (7)ACD/KOC (pH 5.5): 14.43 ; (8)ACD/KOC (pH 7.4): 1 ; (9)#H bond acceptors: 7 ; (10)#H bond donors: 3 ; (11)#Freely Rotating Bonds: 1 ; (12)Polar Surface Area: 103.88 Å2 ; (13)Index of Refraction: 1.801 ; (14)Molar Refractivity: 61.83 cm3 ; (15)Molar Volume: 144.4 cm3 ; (16)Polarizability: 24.51 ×10-24cm3 ; (17)Surface Tension: 96.5 dyne/cm ; (18)Density: 2.04 g/cm3 ; (19)Flash Point: 322 °C Enthalpy of Vaporization: 90.44 kJ/mol ; (20)Boiling Point: 608.8 °C at 760 mmHg Vapour Pressure: 9.17E-15 mmHg at 25°C
The Chlorothiazide is off-white solid. Stable. It is stable and incompatible with strong oxidizing agents. It is mainly used for all sorts of edema and hypertension. Diuretic: oral administration or mainline 0.5-1g/times, 1-2 times per day; Depressurization: beginning oral administration 0.5-1g, 2 times per day, and maintain quantity can achieve 2gb/day; Children, younger than 6 months, 30mg/kg/day, 2 times oral; 6 months-2 years old, 0.125-0.375g/day, 2 times; 2-12 years old, 0.375-1g/day, 2 times. The adverse reactions includ as the following:dry mouth, muscle pain, drowsiness, gout, nausea, vomiting, diarrhea, rashes, acute pancreatitis, thrombocytopenia, hyponatremia, low concentration and chlorine alkali hypokalemia disease.
You can still convert the following datas into molecular structure :
1. SMILES: O=S(=O)(c1c(Cl)cc2c(c1)S(=O)(=O)/N=C\N2)N
2. InChI: InChI=1/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)
The Chlorothiazide toxic data can be showed in the following sheet.|
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
dog | LD50 | intravenous | 1gm/kg (1000mg/kg) | "Drug Dosages in Laboratory Animals - A Handbook," Rev. ed., Barnes, C.D., and L.G. Eltherington, Berkeley, Univ. of California Press, 1973Vol. -, Pg. 77, 1973. | |
mouse | LD50 | intraperitoneal | 1400mg/kg (1400mg/kg) | PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Journal of Pharmacology and Experimental Therapeutics. Vol. 134, Pg. 273, 1961. |
mouse | LD50 | intravenous | 940mg/kg (940mg/kg) | PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Journal of Pharmacology and Experimental Therapeutics. Vol. 134, Pg. 273, 1961. |
mouse | LD50 | oral | 8gm/kg (8000mg/kg) | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 118, Pg. 467, 1959. | |
rat | LD50 | intraperitoneal | 1386mg/kg (1386mg/kg) | "Drug Dosages in Laboratory Animals - A Handbook," Rev. ed., Barnes, C.D., and L.G. Eltherington, Berkeley, Univ. of California Press, 1973Vol. -, Pg. 77, 1973. | |
rat | LD50 | intravenous | 200mg/kg (200mg/kg) | Toxicology and Applied Pharmacology. Vol. 1, Pg. 333, 1959. | |
rat | LD50 | oral | 10gm/kg (10000mg/kg) | Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 21, Pg |
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