73-48-3
Product Name:
BENDROFLUMETHIAZIDE
Formula:
C15H14F3N3O4S2
Synonyms:
3-Benzyl-6-trifluoromethyl-7-sulfamoyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Color/Form | Crystals from dioxane. |
| Odor | ODORLESS OR HAS SLIGHT, CHARACTERISTIC FLORAL ODOR |
| Melting Point | 222-223 °C |
| Solubility | >63.2 [ug/mL] (The mean of the results at pH 7.4) |
| LogP | 1.89 |
| LogS | -3.59 |
| Decomposition | When heated to decomposition it emits toxic fumes of /hydrogen fluoride/, sulfoxides, and nitroxides. |
| Dissociation Constants | 8.5 |
| Collision Cross Section | 188.6 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
COMPUTED DESCRIPTORS
| Molecular Weight | 421.4 g/mol |
|---|---|
| XLogP3 | 1.2 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 3 |
| Exact Mass | 421.03778277 g/mol |
| Monoisotopic Mass | 421.03778277 g/mol |
| Topological Polar Surface Area | 135 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 740 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
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 benzothiadiazine and a sulfonamide.