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73-48-3

Basic Information
CAS No.: 73-48-3
Name: BENDROFLUMETHIAZIDE
Molecular Structure:
Molecular Structure of 73-48-3 (BENDROFLUMETHIAZIDE)
Formula: C15H14F3N3O4S2
Molecular Weight: 421.421
Synonyms: 2H-1,2,4-Benzothiadiazine-7-sulfonamide,3-benzyl-3,4-dihydro-6-(trifluoromethyl)-, 1,1-dioxide (6CI,8CI);3-Benzyl-3,4-dihydro-6-(trifluoromethyl)-2H-1,2,4-benzothiadiazine-7-sulfonamide1,1-dioxide;3-Benzyl-6-trifluoromethyl-7-sulfamoyl-3,4-dihydro-1,2,4-benzothiadiazine1,1-dioxide;6-Trifluoromethyl-3-benzyl-7-sulfamyl-3,4-dihydro-1,2,4-benzothiadiazine 1,1-dioxide;Aprinox;Be 724A;Bendrofluazide;Bentride;Benuron;Benzy-Rodiuran;Berkozide;Bristuron;Centyl;FT 81;Livesan;Naigaril;Naturetin;Neo-Rontyl;Niagaril;Orsile;Pluryl;Pluryle;Poliuron;Rauzide;Relan Beta;Salural;Sinesalin;Sodiuretic;Urlea;
EINECS: 200-800-1
Density: 1.528 g/cm3
Melting Point: 205-207 °C
Boiling Point: 602.1 °C at 760 mmHg
Flash Point: 317.9 °C
Solubility: 40mg/L(room temperature)
Appearance: white solid
PSA: 135.12000
LogP: 4.95410
Downstream Products
654-62-6
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Chemistry

Product Name: Bendroflumethiazide (CAS NO.73-48-3)


Molecular Formula: C15H14F3N3O4S2
Molecular Weight: 421.41g/mol
Mol File: 73-48-3.mol
Einecs: 200-800-1
Boiling point: 602.1 °C at 760 mmHg
Flash Point: 317.9 °C
Density: 1.528 g/cm3
Surface Tension: 49.2 dyne/cm
Enthalpy of Vaporization: 89.59 kJ/mol
Vapour Pressure: 1.88E-14 mmHg at 25°C
XLogP3-AA: 1.2
H-Bond Donor: 3
H-Bond Acceptor: 10
Structure Descriptors of Bendroflumethiazide (CAS NO.73-48-3):
  IUPAC Name: 3-benzyl-1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine-7-sulfonamide
  Canonical SMILES: C1=CC=C(C=C1)CC2NC3=C(C=C(C(=C3)C(F)(F)F)S(=O)(=O)N)S(=O)(=O)N2
  InChI: InChI=1S/C15H14F3N3O4S2/c16-15(17,18)10-7-11-13(8-12(10)26(19,22)23)27(24,25)21-14(20-11)6-9-4-2-1-3-5-9/h1-5,7-8,14,20-21H,6H2,(H2,19,22,23) 
  InChIKey: HDWIHXWEUNVBIY-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 4800mg/kg (4800mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 238, Pg. 435, 1960.
mouse LD50 intravenous 395mg/kg (395mg/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 > 10gm/kg (10000mg/kg)   Drugs in Japan Vol. 6, Pg. 781, 1982.
women TDLo oral 300ug/kg/3D-I (0.3mg/kg)   Lancet. Vol. 2, Pg. 634, 1986.

Safety Profile

Poison by intravenous route. Human systemic effects by ingestion: convulsions and somnolence. Mutation data reported. When heated to decomposition it emits toxic fumes of F, SOx, and NOx.

Specification

 Bendroflumethiazide ,its CAS NO. is 73-48-3,the synonyms is (+-)-3-Benzyl-3,4-dihydro-6-(trifluoromethyl)-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide ; 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 3,4-dihydro-3-(phenylmethyl)-6-(trifluoromethyl)-, 1,1-dioxide ; 3-Benzyl-3,4-dihydro-6-(trifluoromethyl)-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide ; 3-Benzyl-6-trifluoromethyl-7-sulfamoyl-3,4-dihydro-1,2,4-
benzothiadiazine, 1,1-dioxide ; 6-Trifluoromethyl-3-benzyl-7-sulfamyl-3,4-dihydro-1,2,4-benzothiadiazine, 1,1-dioxide ; Aprinox ; BHFT ; BL H368 ; BRN 0373316 ; Be 724-A ; Bendrofluazide ; Benuron ; Benzylrodiuran ; Berkozide ; Centyl ; Corzide ; Intolex ; Livesan ; Naturetin .