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N-Acetyl-L-cysteine-[d3]

General Information
Catalog: BLP-009920
CAS: 131685-11-5
Molecular Formula: C5H6NO3SD3
Molecular Weight: 166.21
Chemical Structure
N-Acetyl-L-cysteine-[d3]
Description N-Acetyl-L-cysteine-[d3] is a labelled metabolite of Methyl isocyanate.
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
Related CAS 616-91-1 (unlabelled)
Isomeric SMILES [2H]C([2H])([2H])C(=O)N[C@@H](CS)C(=O)O
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
InChI Key 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

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