Acamprosate-d12 Calcium (di-n-propyl-d12)

Datasheet MSDS
Catalog Number
ALP0006
Product Name
Acamprosate-d12 Calcium (di-n-propyl-d12)
Structure
Acamprosate-d12 Calcium (di-n-propyl-d12)
CAS Number
1225580-91-5
IUPAC Name
calcium;3-acetamido-1,1,2,2,3,3-hexadeuteriopropane-1-sulfonate
Synonyms
Acamprosate-d12 Calcium (di-n-propyl-d12); Calcium Acetylhomotaurite-d12; 3-(Acetylamino)-1-propanesulfonic Acid-d6 Calcium Salt (2:1); Acamprosate-d12 Calcium (dipropyl-d12); Calcium Acetylhomotaurinate-d12 (dipropyl-d12)
Molecular Formula
2(C5H4D6NO4S)•Ca
Molecular Weight
412.55
Appearance
White to Off-white Solid
Purity
95% by HPLC; 98% atom D
Solubility
Soluble in Water (Slightly)
Melting Point
>300°C
Storage
Store at 2-8°C under inert atmosphere
Description
Acamprosate-[d12] Calcium is the labelled salt of Acamprosate. Acamprosate is a synthetic amino acid and a neurotransmitter analogue that is used as an alcohol deterrent in management of alcohol dependence and abuse.
SMILES
CC(=O)NCCCS(=O)(=O)[O-].CC(=O)NCCCS(=O)(=O)[O-].[Ca+2]
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;
InChI Key
BUVGWDNTAWHSKI-CSAJIOQGSA-L
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