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rac Bendroflumethiazide

CAT: 0572-TRC-B133500-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-B133500-1GSize:1 g
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CAS Number
73-48-3
Synonyms
Bendroflumethiazide; (3RS)-3-Benzyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide; 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-sulfonamide 1,1-dioxide; 3-Benzyl-3,4-dihydro-7-sulfamoyl-6-trifluoromethylbenzo-1,2,4-thiadiazine 1,1-dioxide; 3-Benzyl-3,4-dihydro-7-sulphamoyl-6-trifluoromethylbenzo-1,2,4-thiadiazine 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; Be 724A; Bendrofluazide; Bentride; Benuron; Benzhydroflumethiazide; Benzidroflumetiazide; Benzy-Rodiuran; Benzydroflumethiazide; Benzylhydroflumethiazide; Benzylrodiuran; Berkozide; Bristuric; Bristuron; Centyl; Corzide; FT 81; Flumersil; Flumesil; Intolex; Livesan; Naigaril; Nateretin; Naturetin; Naturine; Neo-Rontyl; Neonaclex; Niagaril; Nikion; Orsile; Pluryl; Pluryle; Plusuril; Poliuron; Racemic bendroflumethiazide; Rauzide; Relan; Relan Beta; Repicin; Salural; Salures; Sinesalin; Sinesaline; Sodiuretic; Thiazidico; Urlea; (+/-)-Bendroflumethiazide
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
NS(=O)(=O)c1cc2c(NC(Cc3ccccc3)NS2(=O)=O)cc1C(F)(F)F
Molecular Formula
C15 H14 F3 N3 O4 S2
Molecular Weight
421.41
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)
Additionnal Information
IUPAC name: 3-benzyl-1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1λ^{6},2,4-benzothiadiazine-7-sulfonamide
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Bendroflumethiazide

Bendroflumethiazide is a sulfonamide consisting of 7-sulfamoyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide in which the hydrogen at position 6 is substituted by a trifluoromethyl group and that at position 3 is substituted by a benzyl group. It has a role as a diuretic and an antihypertensive agent. It is a sulfonamide and a benzothiadiazine.

CAS Number73-48-3
PubChem CID2315
IUPAC Name3-benzyl-1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
Molecular FormulaC15H14F3N3O4S2
Molecular Weight421.4
XLogP1.2
Topological Polar Surface Area135
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity740
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
Chemical Structure
2D Structure
2D structure of Bendroflumethiazide
CAS: 73-48-3
CID: 2315
Formula: C15H14F3N3O4S2
MW: 421.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight421.4
XLogP31.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Exact Mass421.03778277
Monoisotopic Mass421.03778277
Topological Polar Surface Area135 Ų
Heavy Atom Count27
Formal Charge0
Complexity740
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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