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Product Overview

Product Code

TRC-A179125

CAS Number

33164-70-4

Product Format

Neat

Molecular Formula

C12 H23 N . C9 H17 N O4 S

Molecular Weight

416.62

Product Categories

TRC, Additional endogenous metabolites, Pharmaceutical Toxicology Reference Materials , API Reference Standards & Research Materials

Product Type

API

Alternate CAS Number

Free acid: 33164-64-6

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

N-Acetyl-S-(3-hydroxypropyl-1-methyl)-L-cysteine dicyclohexylammonium salt (mixture of diastereomers)

CAS Number

33164-70-4

Molecular Formula

C12 H23 N . C9 H17 N O4 S

Molecular Weight

416.62

Accurate Mass

416.2709

SMILES

CC(CCO)SC[C@H](NC(=O)C)C(=O)O.C1CCC(CC1)NC2CCCCC2

InChI

InChI=1S/C12H23N.C9H17NO4S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-6(3-4-11)15-5-8(9(13)14)10-7(2)12/h11-13H,1-10H2;6,8,11H,3-5H2,1-2H3,(H,10,12)(H,13,14)/t;6?,8-/m.0/s1

IUPAC

(2R)-2-acetamido-3-(4-hydroxybutan-2-ylsulfanyl)propanoic acid;N-cyclohexylcyclohexanamine

Alternate CAS Number

Free acid: 33164-64-6

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

>95% (HPLC)

Product Description

A metabolite of Crotonaldehyde.

References: Gray, J.M., and Barnsley, E.A.: Xenobiotica, 1, 55 (1971),

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N-Acetyl-S-(3-hydroxypropyl-1-methyl)-L-cysteine Dicyclohexylammonium Salt(Mixture of Diastereomers)

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