N-Acetyl-d3-S-(N-methylcarbamoyl)-L-cysteine

Base Information

• Chemical Name: N-Acetyl-d3-S-(N-methylcarbamoyl)-L-cysteine
• CAS No.: 131685-10-4
• Molecular Formula: C7H12N2O4S
• Molecular Weight: 223.27
• Mol file: 131685-10-4.mol

Synonyms:N-Acetyl-d3-S-(N-methylcarbamoyl)-L-cysteine;131685-10-4;(2R)-3-(methylcarbamoylsulfanyl)-2-[(2,2,2-trideuterioacetyl)amino]propanoic acid;N-Acetyl-S-(N-methylcarbamoyl)-L-cysteine-d3;S-(N-Methylcarbamoyl)-N-(acetyl-d3)cysteine;103974-29-4 unlabeled;HY-144408S;CS-0380140;A935838

Chemical Property of N-Acetyl-d3-S-(N-methylcarbamoyl)-L-cysteine

Chemical Property:

• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly), Water (Slightly)
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 223.07060828
• Heavy Atom Count: 14
• Complexity: 244

Purity/Quality:

≥95%; ≥99% atom D ^*data from raw suppliers

N-Acetyl-d3-S-(N-methylcarbamoyl)-L-cysteine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)NC(CSC(=O)NC)C(=O)O
• Isomeric SMILES: [2H]C([2H])([2H])C(=O)N[C@@H](CSC(=O)NC)C(=O)O
• Uses: N-Acetyl-d3-S-(N-methylcarbamoyl)-L-cysteine is a urinary metabolite of the hepatotoxic experimental antitumour agent N-Methylformamide (NSC 3051) in mouse, rat and man.

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