2,3-Dihydro-2,3-(N(5)-Formyl-2',5',6'-Triamino-4-Oxo-N(5)-Pyrimidyl)-3-Hydroxyaflatoxin B(1)
[CAS# 83953-67-7]

Identification

• Name: 2,3-Dihydro-2,3-(N(5)-Formyl-2',5',6'-Triamino-4-Oxo-N(5)-Pyrimidyl)-3-Hydroxyaflatoxin B(1)
• Synonyms: Afb1-Fapyr; Formamide, N-(2,4-Diamino-1,4,5,6-Tetrahydro-6-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)-
• Molecular Formula: C₂₂H₂₁N₅O₉
• Molecular Weight: 499.44
• CAS Registry Number: 83953-67-7
• SMILES: C5=C3OC2OC(N(C1C(=O)NC(=NC1N)N)C=O)C(O)C2C3=C4OC(=O)C6=C(C4=C5OC)CCC6=O
• InChI: 1S/C22H21N5O9/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/h4-5,13-15,17,19,21,30H,2-3,23H2,1H3,(H3,24,25,26,31)
• InChIKey: FHOGQUJXZQHYJR-UHFFFAOYSA-N

Properties

• Density: 2.077g/cm³ (Cal.)