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5072-26-4

5072-26-4 structural image
Product Name: DL-BUTHIONINE-[S,R]-SULFOXIMINE
Formula: C8H18N2O3S
Synonyms: DL-Buthionine (S,R)-sulfoximine;BSO;Buthionine sulfoximine;Butionine sulfoximine
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid; [Merck Index]
Chemical Classes Other Uses -> Biochemical Research

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements 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.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P271:Use only outdoors or in a well-ventilated area.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
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 222.31 g/mol
XLogP3 -0.6
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 7
Exact Mass 222.10381361 g/mol
Monoisotopic Mass 222.10381361 g/mol
Topological Polar Surface Area 113 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 284
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

S-butyl-DL-homocysteine (S,R)-sulfoximine is a sulfoximide that is the sulfoximine derivative of an analogue of DL-methionine in which the S-methyl group is replaced by S-butyl. It has a role as an EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor and a ferroptosis inducer. It contains a D-buthionine-(S,R)-sulfoximine and a L-buthionine-(S,R)-sulfoximine.