Ethyl 9-methoxy-2-methyl-3,11,12,14-tetrahydro-6aH-indolo[4',5':5,6][1,3]oxazino[2,3-a]isoquinoline-1-carboxylate
[CAS# 23062-91-1]

Identification

• Name: Ethyl 9-methoxy-2-methyl-3,11,12,14-tetrahydro-6aH-indolo[4',5':5,6][1,3]oxazino[2,3-a]isoquinoline-1-carboxylate
• Synonyms: 3,6a,11,14-Tetrahydro-9-methoxy-2-methyl-(12H)-isoquino[1,2-b]pyrrolo[3,2-f][1,3]benzoxazine-1-carboxylic acid, ethyl ester; 9-Methoxy-2-methyl-11,12-dihydro-3H,6aH,13H-6-oxa-3,12a-diaza-benzo[a]cyclopenta[h]anthracene-1-carboxylic acid ethyl ester; PD 102807
• Molecular Formula: C₂₃H₂₄N₂O₄
• Molecular Weight: 392.45
• CAS Registry Number: 23062-91-1
• SMILES: CCOC(=O)C1=C(NC2=C1C3=C(C=C2)OC4C5=C(CCN4C3)C=C(C=C5)OC)C
• InChI: 1S/C23H24N2O4/c1-4-28-23(26)20-13(2)24-18-7-8-19-17(21(18)20)12-25-10-9-14-11-15(27-3)5-6-16(14)22(25)29-19/h5-8,11,22,24H,4,9-10,12H2,1-3H3
• InChIKey: VDDUJINYXKGZLV-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 586.0±50.0°C at 760 mmHg (Cal.)
• Flash point: 308.2±30.1°C (Cal.)
• Refractive index: 1.673 (Cal.)
• solubility: Soluble to 100 mM in DMSO