Aflatoxin B1-Formamidopyrimidine
[CAS# 65386-83-6]

Identification

• Name: Aflatoxin B1-Formamidopyrimidine
• Synonyms: Formamide, N-(2,6-Diamino-1,4-Dihydro-4-Oxo-5-Pyrimidinyl)-N-(1,2,3,6A,8,9,9A,11-Octahydro-9-Hydroxy-4-Methoxy-1,11-Dioxocyclopenta(C)Furo(3',2':4,5)Furo(2,3-H)(1)Benzopyran-8-Yl)-, (6As-(6Aalpha,8Beta,9Alpha,9Aalpha))-; Afb1-Fap
• Molecular Formula: C₂₂H₁₉N₅O₉
• Molecular Weight: 497.42
• CAS Registry Number: 65386-83-6
• SMILES: [C@@H]16[C@@H](OC2=CC(=C3C(=C12)OC(=O)C4=C3CCC4=O)OC)OC(N(C5=C(NC(=NC5=O)N)N)C=O)[C@@H]6O
• InChI: 1S/C22H19N5O9/c1-33-8-4-9-12(16-11(8)6-2-3-7(29)10(6)20(32)35-16)13-15(30)19(36-21(13)34-9)27(5-28)14-17(23)25-22(24)26-18(14)31/h4-5,13,15,19,21,30H,2-3H2,1H3,(H5,23,24,25,26,31)/t13-,15-,19?,21+/m1/s1
• InChIKey: YTANVFIRTSKBOF-MHKTTXRSSA-N

Properties

• Density: 2.069g/cm³ (Cal.)
• Boiling point: 800.395°C at 760 mmHg (Cal.)
• Flash point: 437.863°C (Cal.)