(1R)-1-[[(2S,3R,11bS)-3-Ethyl-9,10-Dimethoxy-2,3,4,6,7,11b-Hexahydro-1H-Pyrido[2,1-a]Isoquinolin-2-Yl]Methyl]-2,3,4,9-Tetrahydro-1H-Pyrido[3,4-b]Indol-6-Ol
[CAS# 2632-29-3]

Identification

• Name: (1R)-1-[[(2S,3R,11bS)-3-Ethyl-9,10-Dimethoxy-2,3,4,6,7,11b-Hexahydro-1H-Pyrido[2,1-a]Isoquinolin-2-Yl]Methyl]-2,3,4,9-Tetrahydro-1H-Pyrido[3,4-b]Indol-6-Ol
• Synonyms: (1R)-1-[[(2S,3R,11Bs)-3-Ethyl-9,10-Dimethoxy-2,3,4,6,7,11B-Hexahydro-1H-Pyrido[2,1-A]Isoquinolin-2-Yl]Methyl]-2,3,4,9-Tetrahydro-1H-$B-Carbolin-6-Ol; Tubulosan-8'-Ol, 10,11-Dimethoxy-; Ncistruc2_001820
• Molecular Formula: C₂₉H₃₇N₃O₃
• Molecular Weight: 475.63
• CAS Registry Number: 2632-29-3
• SMILES: [C@@H]45C[C@H](C[C@@H]3C1=C(C2=C([NH]1)C=CC(=C2)O)CCN3)[C@H](CN4CCC6=C5C=C(C(=C6)OC)OC)CC
• InChI: 1S/C29H37N3O3/c1-4-17-16-32-10-8-18-13-27(34-2)28(35-3)15-22(18)26(32)12-19(17)11-25-29-21(7-9-30-25)23-14-20(33)5-6-24(23)31-29/h5-6,13-15,17,19,25-26,30-31,33H,4,7-12,16H2,1-3H3/t17-,19-,25+,26-/m0/s1
• InChIKey: JRVWIILYWSBUMC-PRUVNFMMSA-N

Properties

• Density: 1.271g/cm³ (Cal.)
• Boiling point: 667.791°C at 760 mmHg (Cal.)
• Flash point: 357.667°C (Cal.)

References

• (1): Krutzik et al.. High-content single cell drug screening with phospho-specific flow cytometry, Nature Chemical Biology, 2007