Hydrochlorothiazide

Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.

The IUPAC name of Hydrochlorothiazide is 6-chloro-1,1-dioxo-3,4-dihydro-2H-1λ⁶,2,4-benzothiadiazine-7-sulfonamide. With the CAS registry number 58-93-5, it is also named as 3,4-Dihydrochlorothiazide. The product's categories are Losartan Potassium & Hydrochlorothiazide; Xanthones; Heterocyclic Compounds; Heterocycles; Inhibitors; Ion transporter and other Ion Channel, and the other registry numbers are 125727-50-6; 8049-49-8. Besides, it is white solid, which should be stored in sealed and dark place at 2-8 °C. It is stable, and incompatible with strong oxidizing agents. In addition, its molecular formula is C₇H₈ClN₃O₄S₂ and molecular weight is 297.73.

The other characteristics of this product can be summarized as: (1)EINECS: 200-403-3; (2)ACD/LogP: -0.07; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -0.07; (5)ACD/LogD (pH 7.4): -0.09; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 21.8; (9)ACD/KOC (pH 7.4): 21.06; (10)#H bond acceptors: 7; (11)#H bond donors: 4; (12)#Freely Rotating Bonds: 1; (13)Index of Refraction: 1.632; (14)Molar Refractivity: 62.71 cm³; (15)Molar Volume: 175.8 cm³; (16)Surface Tension: 62 dyne/cm; (17)Density: 1.693 g/cm³; (18)Flash Point: 302.7 °C; (19)Melting point: 273-275 °C; (20)Water Solubility: 722 mg/L at 25 °C; (21)Enthalpy of Vaporization: 86.38 kJ/mol; (22)Boiling Point: 577 °C at 760 mmHg; (23)Vapour Pressure: 2.6E-13 mmHg at 25 °C.

Preparation of Hydrochlorothiazide: first, you can use m-Chloroaniline to produce 5-Chloro-2,4-chloro sulfonyl aniline by chlorosulfonation. Then use it to produce 5-Chloro-2,4-amino-sulfo-aniline. At last, you can get this chemical by the reaction of 5-Chloro-2,4-amino-sulfo-aniline with Formaldehyde.

Uses of Hydrochlorothiazide: this chemical is a first line diuretic drug of the thiazide class that acts by inhibiting the kidneys' ability to retain water. It is also used to treat hypertension such as Diovan HCT, Zestoretic, Benicar HCT, Atacand HCT, and Lotensin HCT, Temax-H and others in combination with many popular drugs. Furthermore, it can be used in the treatment of osteoporosis.

When you are using this chemical, please be cautious about it as the following: it is harmful if swallowed. It is also toxic by inhalation and if swallowed. Please do not breathe dust. Moreover, it is irritating to eyes, respiratory system and skin. It may cause sensitization by inhalation and skin contact. Please keep container tightly closed away from sources of ignition. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection to avoid contact with skin. Additionally, please take off immediately all contaminated clothing. And take precautionary measures against static discharges. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl
(2)InChI: InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)
(3)InChIKey: JZUFKLXOESDKRF-UHFFFAOYSA-N

The toxicity data is as follows: