Product Code

TRC-A179025

Product Format

Neat

Molecular Formula

C13H17NO4S

Molecular Weight

283.34

Product Categories

Modified amino acids, TRC

Product Type

Metabolite

Alternate CAS Number

69278-53-1 + 14510-10-2

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

N-Acetyl-S-(2-hydroxy-1-phenylethyl)-L-cysteine + N-Acetyl-S-(2-hydroxy-2-phenylethyl)-L-cysteine (Mixture)

Molecular Formula

C13H17NO4S

Molecular Weight

283.34

Accurate Mass

283.09

SMILES

OCC(SC[C@@H](C(O)=O)NC(C)=O)[C+]1=CC=CC=C1.OC(CSC[C@@H](C(O)=O)NC(C)=O)C2=CC=CC=C2

InChI

InChI=1S/2C13H17NO4S/c1-9(16)14-11(13(17)18)8-19-12(7-15)10-5-3-2-4-6-10;1-9(15)14-11(13(17)18)7-19-8-12(16)10-5-3-2-4-6-10/h2-6,11-12,15H,7-8H2,1H3,(H,14,16)(H,17,18);2-6,11-12,16H,7-8H2,1H3,(H,14,15)(H,17,18)/q+1;/t2*11-,12?/m00/s1

IUPAC

N-Acetyl-S-(2-hydroxy-1-phenylethyl)-L-cysteine +N-Acetyl-S-(2-hydroxy-2-phenylethyl)-L-cysteine

Alternate CAS Number

69278-53-1 + 14510-10-2

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

Product Description

A mixture of 2 metabolites of Styrene. The 2 regioisomers are in a roughly 3: 1ratio

References: Ryan, A., et al.: Drug Metab. Dispos., 5, 363 (1977),

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N-Acetyl-S-(2-hydroxy-1-phenylethyl)-L-cysteine + N-Acetyl-S-(2-hydroxy-2-phenylethyl)-L-cysteine (Mixture)

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