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15318-45-3

15318-45-3 structural image
Product Name: Thiamphenicol
Formula: C12H15Cl2NO5S
Synonyms: D-threo-2,2-Dichloro-N-(β-hydroxy-α-[hydroxymethyl]-4-[methylsulfonyl]phenethyl)acetamide
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility >53.4 [ug/mL] (The mean of the results at pH 7.4)
Collision Cross Section 170.7 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]
Chemical Classes Other Uses -> Pharmaceuticals

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 356.2 g/mol
XLogP3 -0.3
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 6
Exact Mass 355.0047991 g/mol
Monoisotopic Mass 355.0047991 g/mol
Topological Polar Surface Area 112 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 443
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
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

Thiamphenicol is a sulfone and a monocarboxylic acid amide. It has a role as an immunosuppressive agent and an antimicrobial agent.