6-Epitetrodotoxin
[CAS# 112318-40-8]

Identification

• Name: 6-Epitetrodotoxin
• Synonyms: Tetrodotoxin, (6Beta)-
• Molecular Formula: C₁₁H₁₇N₃O₈
• Molecular Weight: 319.27
• CAS Registry Number: 112318-40-8
• SMILES: [C@@]124NC(=N[C@H](O)C1[C@H]3O[C@@](O[C@@H](C2O)[C@@]3(O)CO)(O)[C@H]4O)N
• InChI: 1S/C11H17N3O8/c12-8-13-6(17)2-4-9(19,1-15)5-3(16)10(2,14-8)7(18)11(20,21-4)22-5/h2-7,15-20H,1H2,(H3,12,13,14)/t2?,3?,4-,5+,6-,7+,9-,10-,11+/m1/s1
• InChIKey: CFMYXEVWODSLAX-YPXFGVONSA-N

Properties

• Density: 2.784g/cm³ (Cal.)
• Boiling point: 702.642°C at 760 mmHg (Cal.)
• Flash point: 378.745°C (Cal.)