2,3,9,10,11,12-Hexahydro-3-hydroxy-9-methoxy-8-methyl-10-(methylamino)-8,12-Epoxy-1H,8H-2,7b,12a-triazadibenzo(a,g)cyclonona(cde)trinden-1-one
[CAS# 121569-61-7]

Identification

• Name: 2,3,9,10,11,12-Hexahydro-3-hydroxy-9-methoxy-8-methyl-10-(methylamino)-8,12-Epoxy-1H,8H-2,7b,12a-triazadibenzo(a,g)cyclonona(cde)trinden-1-one
• Synonyms: 8,12-Epoxy-1H,8H-2,7B,12A-Triazadibenzo(A,G)Cyclonona(Cde)Trinden-1-One, 2,3,9,10,11,12-Hexahydro-3-Hydroxy-9-Methoxy-8-Methyl-10-(Methylamino)-; 9,13-Epoxy-1H,9H-Diindolo(1,2,3-Gh:3',2',1'-Lm)Pyrrolo(3,4-J)(1,7)Benzodiazon-1-One, 2,3,10,11,12,13-Hexahydro-3-Hydroxy-10-Methoxy-9-Methyl-11-(Methylamino)-, (3-Alpha,9-Alpha,10-Beta,11-Beta,13-Alpha)-; Ucn 02
• Molecular Formula: C₂₈H₂₆N₄O₄
• Molecular Weight: 482.54
• CAS Registry Number: 121569-61-7
• SMILES: [N]15C4=C3[N]([C@@H]2O[C@]1([C@H](OC)[C@H](NC)C2)C)C8=C(C3=C7C(=C4C6=C5C=CC=C6)[C@H](O)NC7=O)C=CC=C8
• InChI: 1S/C28H26N4O4/c1-28-25(35-3)15(29-2)12-18(36-28)31-16-10-6-4-8-13(16)19-21-22(27(34)30-26(21)33)20-14-9-5-7-11-17(14)32(28)24(20)23(19)31/h4-11,15,18,25,27,29,34H,12H2,1-3H3,(H,30,33)/t15-,18-,25-,27+,28+/m1/s1
• InChIKey: PBCZSGKMGDDXIJ-KRUBCLEUSA-N

Properties

• Density: 1.63g/cm³ (Cal.)
• Boiling point: 705.741°C at 760 mmHg (Cal.)
• Flash point: 380.619°C (Cal.)