Bastadin 5
[CAS# 79067-75-7]

Identification

• Name: Bastadin 5
• Synonyms: 5,16,21,32,36-Pentabromo-4,20-Dihydroxy-2,18-Dioxa-10,27-Diazapentacyclo(28.2.2.2(14,17).1(3,7).1(19,23))Octatriaconta-3,5,7(38),14,16,19,21,23(35),30,32,33,36-Dodecaene-11,12,25,26-Tetrone 12,25-Dioxime; Bastadin 5
• Molecular Formula: C₃₄H₂₇Br₅N₄O₈
• Molecular Weight: 1019.13
• CAS Registry Number: 79067-75-7
• SMILES: O=C5NCCC1=CC(=C(O)C(=C1)OC2=CC=C(C=C2Br)CCNC(=O)C(=N/O)\CC3=CC(=C(O)C(=C3)OC4=C(Br)C=C(C=C4Br)C/C5=N/O)Br)Br
• InChI: 1S/C34H27Br5N4O8/c35-20-7-16-1-2-27(20)50-28-14-17(8-21(36)30(28)44)4-6-41-33(46)25(42-48)12-18-10-23(38)32(24(39)11-18)51-29-15-19(9-22(37)31(29)45)13-26(43-49)34(47)40-5-3-16/h1-2,7-11,14-15,44-45,48-49H,3-6,12-13H2,(H,40,47)(H,41,46)/b42-25-,43-26-
• InChIKey: UXXAEQAYQWEARL-ATXSJROWSA-N

Properties

• Density: 1.983g/cm³ (Cal.)