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Bendroflumethiazide

CAT: 1410-M15812-01Size: 1 EachDry Ice: NoHazardous: No
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Description
A thiazide diuretic with actions and uses similar to those of hydrochlorothiazide.
CAS Number
73-48-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
421.41
Molecular Formula
C15H14F3N3O4S2
Notes
Research use only, not for human use.
Receptor
Carbonic anhydrase| Potassium Channel

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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