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N-Acetyl-L-cysteine-[d3]

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Category Endogenous Metabolite
CAS 131685-11-5
Description N-Acetyl-L-cysteine-[d3] is a labelled metabolite of Methyl isocyanate.
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Product Information

Synonyms N-(Acetyl-d3)-L-cysteine; N-(Acetyl-d3)-L-cysteine; N-trideuteroacetyl-l-cysteine
IUPAC Name (2R)-3-sulfanyl-2-[(2,2,2-trideuterioacetyl)amino]propanoic acid
Molecular Weight 166.21
Molecular Formula C5H6NO3SD3
Canonical SMILES CC(=O)NC(CS)C(=O)O
InChI InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1/i1D3
InChIKey PWKSKIMOESPYIA-OSIBIXDNSA-N
Boiling Point 497.5±45.0 °C at 760 mmHg
Melting Point 98-100°C
Flash Point 254.7±28.7 °C
Purity 95% by HPLC; 98% atom D
Density 1.5±0.1 g/cm3
Solubility In vitro:
10 mM in DMSO
Appearance Off-White Solid
Storage Store at -20°C
Complexity 148
Exact Mass 223.051437
Index Of Refraction 1.593
In Vitro Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and Metabolic profiles of drugs.
Target Reactive Oxygen Species; Endogenous Metabolite; Apoptosis; Ferroptosis; Influenza
Vapor Pressure 0.0±2.9 mmHg at 25°C
XLogP3-AA 0.4

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