S-Nitroso-N-Acetyl-DL-Penicillamine
[CAS# 81739-40-4]

Identification

• Name: S-Nitroso-N-Acetyl-DL-Penicillamine
• Synonyms: 2-Acetamido-3-Methyl-3-Nitrososulfanyl-Butanoic Acid; 2-Acetamido-3-Methyl-3-(Nitrosothio)Butanoic Acid; 2-Acetamido-3-Methyl-3-(Nitrosothio)Butyric Acid
• Molecular Formula: C₇H₁₂N₂O₄S
• Molecular Weight: 220.24
• CAS Registry Number: 81739-40-4
• SMILES: CC(C(NC(C)=O)C(O)=O)(SN=O)C
• InChI: 1S/C7H12N2O4S/c1-4(10)8-5(6(11)12)7(2,3)14-9-13/h5H,1-3H3,(H,8,10)(H,11,12)
• InChIKey: ZIIQCSMRQKCOCT-UHFFFAOYSA-N

Properties

• Density: 1.367g/cm³ (Cal.)
• solubility: Soluble to 100 mM in DMSO