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2259-96-3

2259-96-3 structural image
Product Name: CYCLOTHIAZIDE
Formula: C14H16ClN3O4S2
Synonyms: 6-Chloro-3,4-dihydro-3-(2-norbornen-5-yl)-2H-1,2-4-benzothiadiazine-7-sulfonamide 1,1-dioxide
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Color/Form CRYSTALS FROM DILUTE ALCOHOL
Odor PRACTICALLY ODORLESS
Melting Point 229-230
Solubility FREELY SOL IN ACETONE, ETHYL ACETATE, METHANOL; SPARINGLY SOL IN ALC; PRACTICALLY INSOL IN WATER; PRACTICALLY INSOL IN CHLOROFORM, ETHER
LogP 1.95
Stability/Shelf Life TABLETS, EXPIRATION DATE OF 5 YR
Dissociation Constants PKA: 10.7 IN WATER

COMPUTED DESCRIPTORS

Molecular Weight 389.9 g/mol
XLogP3 2
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 2
Exact Mass 389.0270760 g/mol
Monoisotopic Mass 389.0270760 g/mol
Topological Polar Surface Area 135 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 758
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 4
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Cyclothiazide is 3,4-Dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide substituted at positions 3, 5 and 6 by a 2-norbornen-5-yl group, chlorine, and a sulfonamide group, respectively. A thiazide diuretic, it has been used in the management of hypertension and oedema. It has a role as a diuretic and an antihypertensive agent.