Ergothioneine

• Catalog Number: ACM497303-1
• CAS: 497-30-3
• IUPAC Name: (2S)-3-(2-Sulfanylidene-1,3-dihydroimidazol-4-yl)-2-(trimethylazaniumyl)propanoate
• Synonyms: 2-Mercaptohistidine betaine
• Molecular Weight: 229.3
• Molecular Formula: C9H15N3O2S
• Canonical SMILES: C[N+](C)(C)C(CC1=CNC(=S)N1)C(=O)[O-]
• InChI: InChI=1S/C9H15N3O2S/c1-12(2,3)7(8(13)14)4-6-5-10-9(15)11-6/h5,7H,4H2,1-3H3,(H2-,10,11,13,14,15)/t7-/m0/s1
• InChI Key: SSISHJJTAXXQAX-ZETCQYMHSA-N
• Melting Point: 275-277 °C
• Purity: 99%
• Density: 1.2541 g/cm³
• Appearance: White solid
• Storage: -20 °C
• Active Content: 95%
• Physical State: Solid
• Typical Applications: Use as antioxidant.