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3736-81-0

3736-81-0 structural image
Product Name: Diloxanide furoate
Formula: C14H11Cl2NO4
Synonyms: 2,2-Dichloro-N-(4-hydroxyphenyl)-N-methylacetamide 2-furoic acid ester
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Solubility >49.2 [ug/mL] (The mean of the results at pH 7.4)
Collision Cross Section 171.7 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral

COMPUTED DESCRIPTORS

Molecular Weight 328.1 g/mol
XLogP3 3.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 5
Exact Mass 327.0065132 g/mol
Monoisotopic Mass 327.0065132 g/mol
Topological Polar Surface Area 59.8 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 383
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Diloxanide furoate is a carboxylic ester resulting from the formal condensation of the carboxy group of furan-2-carboxylic acid with the hydroxy group of 2,2-dichloro-N-(4-hydroxyphenyl)-N-methylacetamide. It is a drug used for the treatment of asymptomatic amebiasis. It has a role as an antiamoebic agent and a prodrug. It is a member of furans, a carboxylic ester, a tertiary carboxamide and an organochlorine compound.

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