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Product Overview

Product Code

TRC-A179077

Product Format

Neat

Molecular Formula

C20H35D3N2O4S

Molecular Weight

405.61

Product Categories

TRC, Additional endogenous metabolites, Stable isotopes, Stable Isotope Labelled Analytical Standards, Pharmaceutical Toxicology Reference Materials

Product Type

Stable Isotope Labelled, Metabolite, Bioactive Small Molecule

Alternate CAS Number

(R)-isomer: 1356934-09-2

Unlabelled CAS Number

(R)-isomer: 14369-42-7

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

N-Acetyl-d3-S-(3-hydroxypropyl)cysteine, Dicyclohexylammonium Salt

Molecular Formula

C20H35D3N2O4S

Molecular Weight

405.61

SMILES

OCCCSCC(NC(C([2H])([2H])[2H])=O)C([O-])=O.C1([NH2+]C2CCCCC2)CCCCC1

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)/i;1D3

IUPAC

dicyclohexylazanium;3-(3-hydroxypropylsulfanyl)-2-[(2,2,2-trideuterioacetyl)amino]propanoate

Alternate CAS Number

(R)-isomer: 1356934-09-2

Unlabelled CAS Number

(R)-isomer: 14369-42-7

SIL Type

Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite; Stable Isotope Labelled

Product Format

Neat

Purity

>95% (HPLC)

Product Description

A deuterated metabolite of halopropanes.

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

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