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N-Acetyl-L-cysteine-[d3]

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General Information
Catalog: BLP-009920
CAS: 131685-11-5
Molecular Formula: C5H6NO3SD3
Molecular Weight: 166.21

Chemical Structure

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