1,11-Dibromo-12,13-Dihydro-12-(4-O-Methyl-beta-D-Glucopyranosyl)-5H-Indolo(2,3-a)Pyrrolo(3,4-c)Carbazole-5,7(6H)-Dione
[CAS# 137605-02-8]

Identification

• Name: 1,11-Dibromo-12,13-Dihydro-12-(4-O-Methyl-beta-D-Glucopyranosyl)-5H-Indolo(2,3-a)Pyrrolo(3,4-c)Carbazole-5,7(6H)-Dione
• Synonyms: Bromorebeccamycin
• Molecular Formula: C₂₇H₂₁Br₂N₃O₇
• Molecular Weight: 659.29
• CAS Registry Number: 137605-02-8
• SMILES: [C@H]1(O[C@@H]([C@@H](OC)[C@H](O)[C@H]1O)CO)C7CC2=C(N=C4C2=C3C(=CN=C3Br)C5=C4N=C6C5=CC(=O)CC6=O)C=C7Br
• InChI: 1S/C27H21Br2N3O7/c1-38-26-16(7-33)39-25(23(36)24(26)37)9-4-10-14(5-13(9)28)31-22-18(10)19-12(6-30-27(19)29)17-11-2-8(34)3-15(35)20(11)32-21(17)22/h2,5-6,9,16,23-26,33,36-37H,3-4,7H2,1H3/t9?,16-,23-,24-,25+,26-/m1/s1
• InChIKey: HIWZGZQZXVDTDD-DNOUQMJISA-N

Properties

• Density: 2.164g/cm³ (Cal.)
• Boiling point: 761.711°C at 760 mmHg (Cal.)
• Flash point: 414.468°C (Cal.)