17560-51-9
Product Name:
Metolazone
Formula:
C16H16ClN3O3S
Synonyms:
7-Chloro-1,2,3,4-tetrahydro-2-methyl-3-(2-methylphenyl)-4-oxo-6-quinazolinesulfonamide
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Color/Form | CRYSTALS FROM ETHANOL |
| Odor | ODORLESS |
| Taste | TASTELESS |
| Melting Point | 256 °C |
| Solubility | 60.3 mg/L (at 25 °C) |
| LogP | 2.5 |
| LogS | -3.78 |
| Stability/Shelf Life | LIGHT-SENSITIVE |
| Dissociation Constants | PKA: 9.72 |
| Collision Cross Section | 181.2 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
| Other Experimental Properties | ALSO REPORTED AS MP 246-250 °C (US PATENT 3,557,111) |
COMPUTED DESCRIPTORS
| Molecular Weight | 365.8 g/mol |
|---|---|
| XLogP3 | 4.1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 365.0600902 g/mol |
| Monoisotopic Mass | 365.0600902 g/mol |
| Topological Polar Surface Area | 101 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 594 |
| 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
Metolazone is a quinazoline that consists of 1,2,3,4-tetrahydroquinazolin-4-one bearing additional methyl, 2-tolyl, sulfamyl and chloro substituents at positions 2, 3, 6 and 7 respectively. A quinazoline diuretic, with properties similar to thiazide diuretics. It has a role as a diuretic, an antihypertensive agent and an ion transport inhibitor. It is a member of quinazolines, an organochlorine compound and a sulfonamide.