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77-46-3

77-46-3 structural image
Product Name: acedapsone
Formula: C16H16N2O4S
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CHEMICAL AND PHYSICAL PROPERTIES

Collision Cross Section 171.2 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

COMPUTED DESCRIPTORS

Molecular Weight 332.4 g/mol
XLogP3 1.1
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 332.08307817 g/mol
Monoisotopic Mass 332.08307817 g/mol
Topological Polar Surface Area 101 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 483
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

Acedapsone is a sulfone that is dapsone in which both of the amino groups been acetylation. An antimicrobial drug, it also has antimalarial activity. It has a role as an antimicrobial drug and an antimalarial. It is a sulfone, a secondary carboxamide, a member of acetamides and an anilide. It is functionally related to a dapsone.