Prosurugatoxin
[CAS# 99102-40-6]

Identification

• Name: Prosurugatoxin
• Synonyms: D-Myo-Inositol, 4-(6'-Bromo-1,1',2',3,4,6,8,8A,9,10-Decahydro-6-Hydroxy-6-Methyl-2,2',4-Trioxospiro(Cyclopenta(E)Pyrimido(4,5-B)(1,4)Diazepine-7(2H),3'-(3H)Indole)-8-Carboxylate), (6S-(6Alpha,7Alpha,8Alpha,8Aalpha))-; D-Myo-Inosytol, 4-(6'-Bromo-1,1',2',3,
• Molecular Formula: C₂₅H₂₆BrN₅O₁₁
• Molecular Weight: 652.41
• CAS Registry Number: 99102-40-6
• SMILES: C1=CC(=CC2=C1C5(C(N2)=O)C(C(OC3C(C(C(C(C3O)O)O)O)O)=O)C4CNC6=C(N=C4C5(O)C)C(NC(N6)=O)=O)Br
• InChI: 1S/C25H26BrN5O11/c1-24(41)18-7(5-27-19-11(29-18)20(37)31-23(40)30-19)10(25(24)8-3-2-6(26)4-9(8)28-22(25)39)21(38)42-17-15(35)13(33)12(32)14(34)16(17)36/h2-4,7,10,12-17,32-36,41H,5H2,1H3,(H,28,39)(H3,27,30,31,37,40)
• InChIKey: AFDHDUMCMVFEIH-UHFFFAOYSA-N

Properties

• Density: 2.263g/cm³ (Cal.)