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148-56-1

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Basic Information
CAS No.: 148-56-1
Name: flumethiazide
Molecular Structure:
Molecular Structure of 148-56-1 (flumethiazide)
Formula: C8H6 F3 N3 O4 S2
Molecular Weight: 329.281
Synonyms: 6-(Trifluoromethyl)-1,4,2-benzothiadiazine-7-sulfonamido1,1-dioxide; 6-Trifluoromethyl-1,2,4-benzothiadiazine-7-sulfonamide1,1-dioxide; 6-Trifluoromethyl-7-sulfamyl-1,2,4-benzothiadiazine-1,1-dioxide;7-Sulfamoyl-6-trifluoromethyl-2H-1,2,4-benzothiadiazine 1,1-dioxide; Ademil;Ademol; Fludemil; Flumethiazid; Flumethiazide; Flumetiazid; NSC 44626; Routrax;Trifluoromethylthiazide
Density: 1.99g/cm3
Melting Point: 306.6°C
Boiling Point: 560°Cat760mmHg
Flash Point: 292.5°C
Solubility: 1.05g/L(room temperature)
Safety: Moderately toxic by intraperitoneal and intravenous routes. When heated to decomposition it emits very toxic fumes of SOx, NOx, and F−.
PSA: 135.45000
LogP: 2.93080
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Chemistry

EINECS of Flumethiazide (CAS NO.148-56-1): 205-717-4
Empirical Formula: C8H6F3N3O4S2
Molecular Weight: 329.2761 g/mol
Index of Refraction: 1.673
Density: 1.99 g/cm3
Flash Point: 292.5 °C
Enthalpy of Vaporization: 84.25 kJ/mol
Boiling Point: 560 °C at 760 mmHg Vapour
Pressure: 1.42E-12 mmHg at 25 °C
Structure of Flumethiazide (CAS NO.148-56-1):
                        
IUPAC Name: 1,1-Dioxo-6-(trifluoromethyl)-4H-benzo[e][1,2,4]thiadiazine-7-sulfonamide
Canonical SMILES: C1=C(C(=CC2=C1NC=NS2(=O)=O)S(=O)(=O)N)C(F)(F)F
InChI: InChI=1S/C8H6F3N3O4S2/c9-8(10,11)4-1-5-7(2-6(4)19(12,15)16)20(17,18)14-3-13-5/h1-3H,(H,13,14)(H2,12,15,16)
InChIKey: RGUQWGXAYZNLMI-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1760mg/kg (1760mg/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 910mg/kg (910mg/kg) PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)
BEHAVIORAL: ATAXIA
GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS		 Journal of Pharmacology and Experimental Therapeutics. Vol. 128, Pg. 405, 1960.
mouse LD50 oral > 8gm/kg (8000mg/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.

Safety Profile

Moderately toxic by intraperitoneal and intravenous routes. When heated to decomposition Flumethiazide (CAS NO.148-56-1) emits very toxic fumes of SOx, NOx, and F−.

Specification

 Flumethiazide , its cas register number is 148-56-1. It also can be called Ademol ; 6-(Trifluoromethyl)-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide ; 6-(Trifluoromethyl)-1,2,4-benzo-thiadiazine-7-sulfonamide 1,1-dioxide ; and 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-(trifluoromethyl)-, 1,1-dioxide (8CI)(9CI) .