CAS 19542-77-9

Benzylmercapturic acid

Description:

Benzylmercapturic acid is a chemical compound that belongs to the class of mercapturic acids, which are conjugates of mercapturic acid and various electrophiles. It is formed through the metabolism of benzyl chloride and other benzyl derivatives, typically in the liver, where it plays a role in detoxification processes. The compound is characterized by its mercaptan functional group, which imparts thiol properties, making it reactive and capable of forming disulfides. Benzylmercapturic acid is often studied in the context of environmental health, particularly as a biomarker for exposure to benzyl compounds, which can be found in various industrial applications and consumer products. Its molecular structure includes a benzyl group attached to a mercapturic acid moiety, contributing to its solubility in biological fluids. The compound is generally considered to have low volatility and is not classified as a persistent organic pollutant. Understanding its characteristics is essential for assessing potential health risks associated with exposure to benzyl-containing substances.

Formula: C₁₂H₁₅NO₃S

InChI: InChI=1/C12H15NO3S/c1-9(14)13-11(12(15)16)8-17-7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,13,14)(H,15,16)/p-1/t11-/m0/s1

InChI key: InChIKey=BJUXDERNWYKSIQ-NSHDSACASA-N

SMILES: C(SC[C@H](NC(C)=O)C(O)=O)C1=CC=CC=C1

Synonyms:

• (2R)-2-(acetylamino)-3-(benzylsulfanyl)propanoate
• (R)-2-Acetamido-3-(benzylthio)propanoic acid
• <span class="text-smallcaps">L</span>-Cysteine, N-acetyl-S-(phenylmethyl)-
• Alanine, N-acetyl-3-(benzylthio)-, <span class="text-smallcaps">L</span>-
• Benzylmercapturic acid
• L-Cysteine, N-acetyl-S-(phenylmethyl)-
• N-Acetyl-S-(phenylmethyl)-<span class="text-smallcaps">L</span>-cysteine
• N-Acetyl-S-benzyl-<span class="text-smallcaps">L</span>-cysteine
• N-Acetyl-S-benzylcysteine
• S-Benzyl-(R)-mercapturic acid
• S-Benzyl-N-acetyl-<span class="text-smallcaps">L</span>-cysteine
• S-Benzyl-N-acetyl-L-cysteine
• S-Benzyl-N-acetylcysteine
• S-Benzylmercapturic acid
• Sbnac
• methyl N-acetyl-S-phenyl-L-cysteinate
• N-Acetyl-S-(phenylmethyl)-L-cysteine
• Alanine, N-acetyl-3-(benzylthio)-, L-
• N-Acetyl-3-(benzylthio)-alanine
• (R)-3-(Benzylthio)-2-(acetylamino)propionic acid
• N-ACETYL-S-BENZYL-L-CYSTEINE
• ACETYL BENZYL CYSTEINE
• (R)-2-(Acetylamino)-3-(benzylthio)propionic acid

N-Acetyl-S-benzyl-L-cysteine

CAS: 19542-77-9

Formula: C₁₂H₁₅NO₃S

Purity: 98%

Color and Shape: Solid

Molecular weight: 253.3174

Ref: IN-DA00I3DS

N-Acetyl-S-benzyl-L-cysteine

CAS: 19542-77-9

N-Acetyl-S-benzyl-L-cysteine

Purity: 98%

Molecular weight: 253.323g/mol

Ref: 54-OR73537

N-Acetyl-S-benzyl-L-cysteine

Controlled Product

CAS: 19542-77-9

Formula: C₁₂H₁₅NO₃S

Color and Shape: Neat

Molecular weight: 253.32

Ref: 04-C10023175

N-Acetyl-S-Benzyl-L-Cysteine-d5

CAS: 19542-77-9

Formula: C₁₂H₁₀D₅NO₃S

Molecular weight: 258.35

Ref: 4Z-C-77135

N-Acetyl-S-Benzyl-L-Cysteine

CAS: 19542-77-9

Formula: C₁₂H₁₅NO₃S

Molecular weight: 253.32

Ref: 4Z-C-77134

N-Acetyl-S-(methylphenyl-13C6)-L-cysteine

Controlled Product

CAS: 19542-77-9

Formula: C₆₁₃C₆H₁₅NO₃S

Color and Shape: Neat

Molecular weight: 259.27

Ref: TR-A168426

N-Acetyl-S-benzyl-L-cysteine

Controlled Product

CAS: 19542-77-9

Applications A metabolite of Toluene.
References Gargas, M., et al.: Toxicol. Appl. Pharmacol., 98, 87 (1989), Commandeur, J., et al.: Pharmacol. Rev., 47(2), 271 (1995), Campo, P., et al.: Neurotoxicol. Teratol., 21, 427 (1999), Lohse, C., et al.: J. Agr. Food Chem., 48, 5913 (2000),

Formula: C₁₂H₁₅NO₃S

Color and Shape: Off-White

Molecular weight: 253.32

Ref: TR-A168428

N-Acetyl-S-benzyl-L-cysteine

CAS: 19542-77-9

N-Acetyl-S-benzyl-L-cysteine is a fluorescence detector that is often used in toxicological studies. It is commonly used to measure the formation of urinary acid after the ingestion of drugs or toxins, as well as the oxidative DNA damage. N-Acetyl-S-benzyl-L-cysteine can be found in urine samples and maternal blood. This compound is prepared by mixing an aqueous solution with a solvent, such as toluene or methyl ethyl ketone, yielding an oily precipitate. The resulting precipitate is then dissolved in water and filtered with a syringe filter for use in fluorescence detection.

Formula: C₁₂H₁₅NO₃S

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 253.32 g/mol

Ref: 3D-FA17182

(R)-2-Acetamido-3-(benzylthio)propanoic acid

CAS: 19542-77-9

Formula: C₁₂H₁₅NO₃S

Purity: 98%

Color and Shape: Solid

Molecular weight: 253.32

Ref: 10-F463878