(3alpha,9beta,10alpha,11alpha,13beta)-2,3,10,11,12,13-Hexahydro-3,10-Dimethoxy-9-Methyl-11-(Methylamino)-9,13-Epoxy-1H,9H-Diindolo(1,2,3-gh:3',2',1'-lm)Pyrrolo(3,4-j)(1,7)Benzodiazonin-1-One
[CAS# 125133-74-6]

Identification

• Name: (3alpha,9beta,10alpha,11alpha,13beta)-2,3,10,11,12,13-Hexahydro-3,10-Dimethoxy-9-Methyl-11-(Methylamino)-9,13-Epoxy-1H,9H-Diindolo(1,2,3-gh:3',2',1'-lm)Pyrrolo(3,4-j)(1,7)Benzodiazonin-1-One
• Synonyms: 7-O-Methyl Ucn-01; 7-O-Methyl-Ucn 01; 9,13-Epoxy-1H,9H-Diindolo(1,2,3-Gh:3',2',1'-Lm)Pyrrolo(3,4-J)(1,7)Benzodiazonin-1-One, 2,3,10,11,12,13-Hexahydro-3,10-Dimethoxy-9-Methyl-11-(Methylamino)-, (3Alpha,9Beta,10Alpha,11Alpha,13Beta)-
• Molecular Formula: C₂₉H₂₈N₄O₄
• Molecular Weight: 496.56
• CAS Registry Number: 125133-74-6
• SMILES: [N]13[C@@]8([C@H]([C@@H](C[C@@H]([N]6C2=C(C5=C(C(=C12)C4=C3C=CC=C4)[C@H](NC5=O)OC)C7=C6C=CC=C7)O8)NC)OC)C
• InChI: 1S/C29H28N4O4/c1-29-26(35-3)16(30-2)13-19(37-29)32-17-11-7-5-9-14(17)20-22-23(28(36-4)31-27(22)34)21-15-10-6-8-12-18(15)33(29)25(21)24(20)32/h5-12,16,19,26,28,30H,13H2,1-4H3,(H,31,34)/t16-,19+,26+,28-,29+/m1/s1
• InChIKey: HMFXRYBLHSRYJD-IQRRFOAXSA-N

Properties

• Density: 1.55g/cm³ (Cal.)
• Boiling point: 675.691°C at 760 mmHg (Cal.)
• Flash point: 362.445°C (Cal.)