(8S)-4-O-Methyltetrodotoxin
[CAS# 7724-39-2]

Identification

• Name: (8S)-4-O-Methyltetrodotoxin
• Synonyms: Methoxytetrodotoxin; Tetrodotoxin, O(Sup 4)-Methyl-; 4-Methoxytetrodotoxin
• Molecular Formula: C₁₂H₁₉N₃O₈
• Molecular Weight: 333.30
• CAS Registry Number: 7724-39-2
• SMILES: [C@H]12C4(NC(=N[C@@H]1OC)N)C(O)(C3(OC2C(O)C(O3)C4O)O)CO
• InChI: 1S/C12H19N3O8/c1-21-8-3-5-4(17)6-7(18)11(3,15-9(13)14-8)10(19,2-16)12(20,22-5)23-6/h3-8,16-20H,2H2,1H3,(H3,13,14,15)/t3-,4?,5?,6?,7?,8-,10?,11?,12?/m1/s1
• InChIKey: SVOKHTHBCRETOQ-CNKCMGRGSA-N

Properties

• Density: 2.396g/cm³ (Cal.)
• Boiling point: 687.597°C at 760 mmHg (Cal.)
• Flash point: 369.645°C (Cal.)