N-Acetyl-L-cysteine-[d3]

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

Quotation Now

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