Decarbamylsaxitoxin
[CAS# 58911-04-9]

Identification

• Name: Decarbamylsaxitoxin
• Synonyms: Decarbamoylsaxitoxin; Decarbamylsaxitoxin; 1H,10H-Pyrrolo(1,2-C)Purine-10,10-Diol, 2,6-Diamino-3A,4,8,9-Tetrahydro-4-(Hydroxymethyl)-, (3As,4R,10As)-
• Molecular Formula: C₉H₁₆N₆O₃
• Molecular Weight: 256.26
• CAS Registry Number: 58911-04-9
• SMILES: [C@@H]13NC(=NC12N(CCC2(O)O)C(=N[C@H]3CO)N)N
• InChI: 1S/C9H16N6O3/c10-6-13-5-4(3-16)12-7(11)15-2-1-8(17,18)9(5,15)14-6/h4-5,16-18H,1-3H2,(H2,11,12)(H3,10,13,14)/t4-,5-,9?/m0/s1
• InChIKey: VRRIYZJUSNMZMP-IOGRODCJSA-N

Properties

• Density: 2.266g/cm³ (Cal.)
• Boiling point: 606.366°C at 760 mmHg (Cal.)
• Flash point: 320.519°C (Cal.)