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Product Overview

Product Code

TRC-A179075

Product Format

Neat

Molecular Formula

C12 H24 N . C8 H14 N O4 S

Molecular Weight

402.59

Product Categories

Additional endogenous metabolites, TRC, Pharmaceutical Toxicology Reference Materials

Product Type

Metabolite

Alternate CAS Number

R isomer: 14369-42-7

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

N-Acetyl-S-(3-hydroxypropyl)cysteine Dicyclohexylammonium Salt

Molecular Formula

C12 H24 N . C8 H14 N O4 S

Molecular Weight

402.59

Accurate Mass

402.2552

SMILES

CC(=O)NC(CSCCCO)C(=O)[O-].C1CCC(CC1)[NH2+]C2CCCCC2

InChI

InChI=1S/C12H23N.C8H15NO4S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-6(11)9-7(8(12)13)5-14-4-2-3-10/h11-13H,1-10H2;7,10H,2-5H2,1H3,(H,9,11)(H,12,13)

IUPAC

2-acetamido-3-(3-hydroxypropylsulfanyl)propanoate;dicyclohexylammonium

Alternate CAS Number

R isomer: 14369-42-7

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

Purity

>95% (HPLC)

Product Description

A metabolite of halopropanes.

References: Barnsley, E.A.: Biochem. J., 100, 362 (1966)

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