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127-79-7

127-79-7 structural image
Product Name: Sulfamerazine
Formula: C11H12N4O2S
Synonyms: N1-(4-Methylpyrimidin-2-yl)sulfanilamide;4-Amino-N-(4-methyl-2-pyrimidinyl)benzenesulfonamide;Sulfamerazine
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 236 °C
Solubility 202 mg/L (at 20 °C)
LogP 0.14
Collision Cross Section 156.3 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]
Kovats Retention Index 2573

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 264.31 g/mol
XLogP3 0.1
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 3
Exact Mass 264.06809681 g/mol
Monoisotopic Mass 264.06809681 g/mol
Topological Polar Surface Area 106 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 360
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

Sulfamerazine is a sulfonamide consisting of pyrimidine with a methyl substituent at the 4-position and a 4-aminobenzenesulfonamido group at the 2-position. It has a role as an antiinfective agent and a drug allergen. It is a member of pyrimidines, a sulfonamide and a sulfonamide antibiotic. It is functionally related to a sulfanilamide.