Sinemet
[CAS# 57308-51-7]

Identification

• Name: Sinemet
• Synonyms: (2S)-2-Amino-3-(3,4-Dihydroxyphenyl)Propanoic Acid; 3-(3,4-Dihydroxyphenyl)-2-Hydrazino-2-Methyl-Propanoic Acid; (2S)-2-Amino-3-(3,4-Dihydroxyphenyl)Propanoic Acid; 3-(3,4-Dihydroxyphenyl)-2-Hydrazino-2-Methylpropanoic Acid; (2S)-2-Amino-3-(3,4-Dihydroxyphenyl)Propionic Acid; 3-(3,4-Dihydroxyphenyl)-2-Hydrazino-2-Methyl-Propionic Acid
• Molecular Formula: C₁₉H₂₅N₃O₈
• Molecular Weight: 423.42
• CAS Registry Number: 57308-51-7
• SMILES: [C@H](N)(CC1=CC(=C(O)C=C1)O)C(O)=O.C2=C(CC(NN)(C)C(O)=O)C=CC(=C2O)O
• InChI: 1S/C10H14N2O4.C9H11NO4/c1-10(12-11,9(15)16)5-6-2-3-7(13)8(14)4-6;10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h2-4,12-14H,5,11H2,1H3,(H,15,16);1-2,4,6,11-12H,3,10H2,(H,13,14)/t;6-/m.0/s1
• InChIKey: IVTMXOXVAHXCHI-ZCMDIHMWSA-N

Properties

• Boiling point: 528.7°C at 760 mmHg (Cal.)
• Flash point: 273.5°C (Cal.)