(8S)-4-O-Ethyltetrodotoxin
[CAS# 7724-40-5]

Identification

• Name: (8S)-4-O-Ethyltetrodotoxin
• Synonyms: Brn 4158024; Ethoxytetrodotoxin; Tetrodotoxin, O(Sup 5)-Ethyl-
• Molecular Formula: C₁₃H₂₁N₃O₈
• Molecular Weight: 347.32
• CAS Registry Number: 7724-40-5
• SMILES: C(O)C2(O)C13NC(=NC(OCC)C1C4OC2(OC(C3O)C4O)O)N
• InChI: 1S/C13H21N3O8/c1-2-22-9-4-6-5(18)7-8(19)12(4,16-10(14)15-9)11(20,3-17)13(21,23-6)24-7/h4-9,17-21H,2-3H2,1H3,(H3,14,15,16)
• InChIKey: ZBBDZQZEBJCIRR-UHFFFAOYSA-N

Properties

• Density: 2.239g/cm³ (Cal.)
• Boiling point: 682.035°C at 760 mmHg (Cal.)
• Flash point: 366.282°C (Cal.)