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135-09-1

Basic Information
CAS No.: 135-09-1
Name: HYDROFLUMETHIAZIDE
Molecular Structure:
Molecular Structure of 135-09-1 (HYDROFLUMETHIAZIDE)
Formula: C8H8F3N3O4S2
Molecular Weight: 331.296
Synonyms: Hydroflumethiazide;
EINECS: 205-173-8
Density: 1.678 g/cm3
Melting Point: 272-273oC
Boiling Point: 531.6 °C at 760 mmHg
Flash Point: 275.3 °C
Solubility: 329.9mg/L(room temperature)
Hazard Symbols: HarmfulXn;IrritantXi
Risk Codes: 42/43
Safety: 36
PSA: 135.12000
LogP: 3.34280
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  • HYDROFLUMETHIAZIDE

  • Casno:

    135-09-1

    HYDROFLUMETHIAZIDE

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    Antaeus-biotech with Established in July 5058 is a high-technical enterprise which focus on the development of health products. We have excellent professionals, first-class facilities and perfect management system. Through persistent efforts, we cont

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  • 3,4-Dihydro-6-trifluoromethyl-2H-1,2,4-benzothiadiazine-7-sulphonamide-1,1-dioxide

  • Casno:

    135-09-1

    3,4-Dihydro-6-trifluoromethyl-2H-1,2,4-benzothiadiazine-7-sulphonamide-1,1-dioxide

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    Debyesci is here who supplied several kinds of chemical products to global pharmaceutical, drug discovery, agrochemical and biotechnology industries for four yearsOur key scientific leadership team has gained experience in top research and developmen

    Debyesci is here who supplied several kinds of chemical products to global pharmaceutical, drug discovery, agrochemical and biotechnology industries for four years Our key scienti

  • Debye Scientific

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  • Hydroflumethiazide

  • Casno:

    135-09-1

    Hydroflumethiazide

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Specification

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,