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Bendroflumethiazide (Standard)

CAT: 0804-HY-B1363R-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B1363R-01Size:5 mg
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Description
Bendroflumethiazide (Standard) (Bendrofluazide (Standard) ) is the analytical standard of Bendroflumethiazide. This product is intended for research and analytical applications. Bendroflumethiazide (Bendrofluazide) is an orally available diuretic. Bendroflumethiazide inhibits the electroneutral sodium-chloride symporter located in the apical membrane of the early segment of the distal convoluted tubule and can effectively lower blood pressure. Bendroflumethiazide is used in the study of hypertension and edema. Bendroflumethiazide has an antidiuretic effect in diabetes insipidus[1][2].
CAS Number
73-48-3
Product Name Alternative
Bendrofluazide (Standard)
UNSPSC
12352005
Hazard Statement
H315, H319, H320
Target
NKCC; Reference Standards
Type
Reference Standards
Related Pathways
Membrane Transporter/Ion Channel; Others
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/bendroflumethiazide-standard.html
Purity
99.89
Smiles
O=S(C1=C(C(F)(F)F)C=C(C2=C1)NC(CC3=CC=CC=C3)NS2(=O)=O)(N)=O
Molecular Formula
C15H14F3N3O4S2
Molecular Weight
421.41
Precautions
H315, H319, H320
References & Citations
[1]GRIEBLE HG, et al. Treatment of arterial hypertensive disease with diuretics. I. Effects on blood pressure of bendroflumethiazide, potassium chloride, and spironolactone. Arch Intern Med. 1962;110:26-33.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, sealed storage, away from light and moisture
Scientific Category
Reference Standards

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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