(5R-cis)-5,6,11,11alpha-Tetrahydro-5-(4-Hydroxy-3,5-Dimethoxyphenyl)-1H,3H-Oxazolo(3',4':1,6)Pyrido(3,4-b)Indol-3-One
[CAS# 129564-92-7]

Identification

• Name: (5R-cis)-5,6,11,11alpha-Tetrahydro-5-(4-Hydroxy-3,5-Dimethoxyphenyl)-1H,3H-Oxazolo(3',4':1,6)Pyrido(3,4-b)Indol-3-One
• Synonyms: 1H,3H-Oxazolo(3',4':1,6)Pyrido(3,4-B)Indol-3-One, 5,6,11,11A-Tetrahydro-5-(4-Hydroxy-3,5-Dimethoxyphenyl)-, (5R-Cis)-; 1H,6H-3-One-5,4,11,11A-Tetrahydro-5-(3,5-Dimethoxy-4-Hydroxyphenyl)Oxazolo(3',4'-1,6)Pyrido(3,4-B)Indole; Nsc 640737
• Molecular Formula: C₂₁H₂₀N₂O₅
• Molecular Weight: 380.40
• CAS Registry Number: 129564-92-7
• SMILES: [C@H]15N([C@@H](C2=C(C1)C3=C([NH]2)C=CC=C3)C4=CC(=C(O)C(=C4)OC)OC)C(OC5)=O
• InChI: 1S/C21H20N2O5/c1-26-16-7-11(8-17(27-2)20(16)24)19-18-14(9-12-10-28-21(25)23(12)19)13-5-3-4-6-15(13)22-18/h3-8,12,19,22,24H,9-10H2,1-2H3/t12-,19+/m0/s1
• InChIKey: MIXLRUYCYZPSOQ-HXPMCKFVSA-N

Properties

• Density: 1.471g/cm³ (Cal.)
• Boiling point: 674.021°C at 760 mmHg (Cal.)
• Flash point: 361.435°C (Cal.)