Bastadin 9
[CAS# 127687-07-4]

Identification

• Name: Bastadin 9
• Synonyms: Bastadin 9
• Molecular Formula: C₃₄H₂₈Br₄N₄O₈
• Molecular Weight: 940.23
• CAS Registry Number: 127687-07-4
• SMILES: O=C3NCCC5=CC=C(OC1=C(O)C=CC(=C1)CCNC(=O)C(=N/O)\CC4=CC(=C(OC2=CC(=CC(=C2O)Br)C/C3=N/O)C(=C4)Br)Br)C(=C5)Br
• InChI: 1S/C34H28Br4N4O8/c35-21-9-17-2-4-28(21)49-29-15-18(1-3-27(29)43)6-8-40-33(45)25(41-47)13-19-11-23(37)32(24(38)12-19)50-30-16-20(10-22(36)31(30)44)14-26(42-48)34(46)39-7-5-17/h1-4,9-12,15-16,43-44,47-48H,5-8,13-14H2,(H,39,46)(H,40,45)/b41-25-,42-26-
• InChIKey: IHQGNSPVGIMQBJ-ZHEAWEGVSA-N

Properties

• Density: 1.875g/cm³ (Cal.)