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Product Overview

Product Code

TRC-A179072

Product Format

Neat

Molecular Formula

C12 H23 N . C8 D6 H9 N O4 S

Molecular Weight

408.6287

API Family

Halopropane

Product Categories

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

Product Type

Stable Isotope Labelled, Metabolite

Alternate CAS Number

(R)-isomer: 1356934-09-2

Unlabelled CAS Number

14369-42-7

Documentation

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Product Information

Chemical Data

Analyte Name

N-Acetyl-S-(3-hydroxypropyl-1,1,2,2,3,3-D6)cysteine, Dicyclohexylammonium Salt

Molecular Formula

C12 H23 N . C8 D6 H9 N O4 S

Molecular Weight

408.6287

Accurate Mass

408.2929

SMILES

[2H]C([2H])(O)C([2H])([2H])C([2H])([2H])SC[C@H](NC(=O)C)C(=O)O.C1CCC(CC1)NC2CCCCC2

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)/t;7-/m.0/s1/i;2D2,3D2,4D2

IUPAC

(2R)-2-acetamido-3-(1,1,2,2,3,3-hexadeuterio-3-hydroxypropyl)sulfanylpropanoic acid;N-cyclohexylcyclohexanamine

Alternate CAS Number

(R)-isomer: 1356934-09-2

Unlabelled CAS Number

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

API Family

Halopropane

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Product Overview

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Chemical Data

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N-Acetyl-S-(3-hydroxypropyl-1,1,2,2,3,3-D6)cysteine, Dicyclohexylammonium Salt

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