3-(2-Acetamidoethyl)-1H-indol-5-yl hexopyranosiduronic acid
[CAS# 18430-06-3]

Identification

• Name: 3-(2-Acetamidoethyl)-1H-indol-5-yl hexopyranosiduronic acid
• Synonyms: N-ACETYL SEROTONIN Î’-D-GLUCURONIDE
• Molecular Formula: C₁₈H₂₂N₂O₈
• Molecular Weight: 394.38
• CAS Registry Number: 18430-06-3
• SMILES: CC(=O)NCCc1c[nH]c2c1cc(cc2)OC3C(C(C(C(O3)C(=O)O)O)O)O
• InChI: 1S/C18H22N2O8/c1-8(21)19-5-4-9-7-20-12-3-2-10(6-11(9)12)27-18-15(24)13(22)14(23)16(28-18)17(25)26/h2-3,6-7,13-16,18,20,22-24H,4-5H2,1H3,(H,19,21)(H,25,26)
• InChIKey: DRKQFNYKSNWOTC-UHFFFAOYSA-N

Properties

• Density: 1.55g/cm³ (Cal.)
• Boiling point: 818.928°C at 760 mmHg (Cal.)
• Flash point: 449.071°C (Cal.)
• Refractive index: 1.683 (Cal.)