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Product Overview

Product Code

TRC-A120002

CAS Number

1225580-91-5

Product Format

Neat

Molecular Formula

2 C5 D6 H4 N O4 S . Ca

Molecular Weight

412.556

API Family

Acamprosate Calcium

Product Categories

TRC, Pharmaceutical Reference Standards, Neurochemical Analytical Standards, Forensic and Toxicology Reference Materials, Additional Neuro Products, Stable isotopes, Stable Isotope Labelled Analytical Standards, API Reference Standards & Research Materials

Product Type

Stable Isotope Labelled, API, Contaminant

Unlabelled CAS Number

77337-73-6

Drug Type

Alcohols

Documentation

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Product Information

Chemical Data

Analyte Name

Acamprosate-d12 Calcium (dipropyl-d12)

CAS Number

1225580-91-5

Molecular Formula

2 C5 D6 H4 N O4 S . Ca

Molecular Weight

412.556

Accurate Mass

412.104

SMILES

[Ca+2].[2H]C([2H])(NC(=O)C)C([2H])([2H])C([2H])([2H])S(=O)(=O)[O-].[2H]C([2H])(NC(=O)C)C([2H])([2H])C([2H])([2H])S(=O)(=O)[O-]

InChI

InChI=1S/2C5H11NO4S.Ca/c2*1-5(7)6-3-2-4-11(8,9)10;/h2*2-4H2,1H3,(H,6,7)(H,8,9,10);/q;;+2/p-2/i2*2D2,3D2,4D2;

IUPAC

calcium;3-acetamido-1,1,2,2,3,3-hexadeuteriopropane-1-sulfonate

Unlabelled CAS Number

77337-73-6

SIL Type

Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat

API Family

Acamprosate Calcium

Product Description

Labelled Acamprosate Calcium (A120000). Acamprosate is a synthetic amino acid and a neurotransmitter analogue that is used as an alcohol deterrent in management of alcohol dependence and abuse. Acamprosate was approved for use in the therapy of alcohol dependence and abuse in the United States in 2004.

References: Gerra, G., et al.: Neuroendocrinology Letters, 14, 119 (1992), Spanagel, R., et al.: Psychopharmacology, 139, 39 (1998), Schneider, U., et al.: Pharmacopsychiatry, 31, 110 (1998),

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