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Name |
2H-1,2,4-Benzothiadiazine-7-sulfonamide,3,4-dihydro-6-(trifluoromethyl)-, 1,1-dioxide |
EINECS | 205-173-8 |
CAS No. | 135-09-1 | Density | 1.678 g/cm3 |
PSA | 135.12000 | LogP | 3.34280 |
Solubility | 329.9mg/L(room temperature) | Melting Point |
272-273oC |
Formula | C8H8F3N3O4S2 | Boiling Point | 531.6 °C at 760 mmHg |
Molecular Weight | 331.296 | Flash Point | 275.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 36 | Risk Codes | 42/43 |
Molecular Structure | Hazard Symbols | Xn;Xi | |
Synonyms |
Hydroflumethiazide; |
The 2H-1,2,4-Benzothiadiazine-7-sulfonamide,3,4-dihydro-6-(trifluoromethyl)-, 1,1-dioxide, with the CAS registry number of 135-09-1, is also known as Hydroflumethiazide. Its EINECS registry number is 205-173-8. This chemical's molecular formula is C8H8F3N3O4S2 and molecular weight is 331.29. What's more, its IUPAC name is 1,1-Dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide. This chemical's classification codes are Antihypertensive, Antihypertensive agents, Cardiovascular Agents, Diuretic, Diuretics, Drug / Therapeutic Agent. It is a thiazide diuretic with actions and uses similar to those of Hydrochlorothiazide.
Physical properties about the 2H-1,2,4-Benzothiadiazine-7-sulfonamide,3,4-dihydro-6-(trifluoromethyl)-, 1,1-dioxide are: (1)ACD/LogP: 0.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.36; (4)ACD/LogD (pH 7.4): 0.33; (5)ACD/BCF (pH 5.5): 1.1; (6)ACD/BCF (pH 7.4): 1.04; (7)ACD/KOC (pH 5.5): 37.37; (8)ACD/KOC (pH 7.4): 35.1; (9)#H bond acceptors: 7; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 94.76 Å2; (13)Index of Refraction: 1.55; (14)Molar Refractivity: 62.88 cm3; (15)Molar Volume: 197.3 cm3; (16)Surface Tension: 47.5 dyne/cm; (17)Density: 1.678 g/cm3; (18)Flash Point: 275.3 °C; (19)Enthalpy of Vaporization: 80.72 kJ/mol; (20)Boiling Point: 531.6 °C at 760 mmHg; (21)Vapour Pressure: 2.2E-11 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
It may cause sensitisation by inhalation and skin contact. In addition, during using it, wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)c2c(cc1c(NCNS1(=O)=O)c2)S(=O)(=O)N
(2) InChI: InChI=1/C8H8F3N3O4S2/c9-8(10,11)4-1-5-7(2-6(4)19(12,15)16)20(17,18)14-3-13-5/h1-2,13-14H,3H2,(H2,12,15,16)
(3) InChIKey: DMDGGSIALPNSEE-UHFFFAOYAE
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 6280mg/kg (6280mg/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. Link to PubMed |
mouse | LD50 | intravenous | 750mg/kg (750mg/kg) | PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Journal of Pharmacology and Experimental Therapeutics. Vol. 134, Pg. 273, 1961. Link to PubMed |
mouse | LD50 | oral | > 10gm/kg (10000mg/kg) | Drugs in Japan Vol. 6, Pg. 629, 1982. | |
mouse | LD50 | parenteral | 1182mg/kg (1182mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | French Medicament Patent Document. Vol. #80M, |