S-Nitrosocaptopril
[CAS# 122130-63-6]

Identification

• Name: S-Nitrosocaptopril
• Synonyms: (2S)-1-[(2S)-2-Methyl-3-Nitrososulfanyl-Propanoyl]Pyrrolidine-2-Carboxylic Acid; (2S)-1-[(2S)-2-Methyl-3-(Nitrosothio)-1-Oxopropyl]-2-Pyrrolidinecarboxylic Acid; (2S)-1-[(2S)-2-Methyl-3-(Nitrosothio)Propanoyl]Proline
• Molecular Formula: C₉H₁₄N₂O₄S
• Molecular Weight: 246.28
• CAS Registry Number: 122130-63-6
• SMILES: [C@@H]1(N(C(=O)[C@@H](CSN=O)C)CCC1)C(=O)O
• InChI: 1S/C9H14N2O4S/c1-6(5-16-10-15)8(12)11-4-2-3-7(11)9(13)14/h6-7H,2-5H2,1H3,(H,13,14)/t6-,7+/m1/s1
• InChIKey: HNIULCDUASSKOM-RQJHMYQMSA-N

Properties

• Density: 1.472g/cm³ (Cal.)
• Boiling point: 470.854°C at 760 mmHg (Cal.)
• Flash point: 238.564°C (Cal.)