Dibromosceptrin
[CAS# 117417-71-7]

Identification

• Name: Dibromosceptrin
• Synonyms: N-[[2,3-Bis(2-Amino-3H-Imidazol-4-Yl)-4-[[[(4,5-Dibromo-1H-Pyrrol-2-Yl)-Oxomethyl]Amino]Methyl]Cyclobutyl]Methyl]-4,5-Dibromo-1H-Pyrrole-2-Carboxamide; N-[[2,3-Bis(2-Amino-3H-Imidazol-4-Yl)-4-[[(4,5-Dibromo-1H-Pyrrol-2-Yl)Carbonylamino]Methyl]Cyclobutyl]Methyl]-4,5-Dibromo-1H-Pyrrole-2-Carboxamide; 1H-Pyrrole-2-Carboxamide, N,N'-((3,4-Bis(2-Amino-1H-Imidazol-4-Yl)-1,2-Cyclobutanediyl)Bis(Methylene))Bis(4,5-Dibromo-, (1R-(1Alpha,2Beta,3Alpha,4Beta))-
• Molecular Formula: C₂₂H₂₂Br₄N₁₀O₂
• Molecular Weight: 778.10
• CAS Registry Number: 117417-71-7
• SMILES: C1=C([NH]C(=N1)N)C2C(C(C2CNC(=O)C3=CC(=C(Br)[NH]3)Br)CNC(=O)C4=CC(=C(Br)[NH]4)Br)C5=CN=C([NH]5)N
• InChI: 1S/C22H22Br4N10O2/c23-9-1-11(33-17(9)25)19(37)29-3-7-8(4-30-20(38)12-2-10(24)18(26)34-12)16(14-6-32-22(28)36-14)15(7)13-5-31-21(27)35-13/h1-2,5-8,15-16,33-34H,3-4H2,(H,29,37)(H,30,38)(H3,27,31,35)(H3,28,32,36)
• InChIKey: HCZXBTALDGQIPO-UHFFFAOYSA-N

Properties

• Density: 2.048g/cm³ (Cal.)