[S-(R*,R*)]-6,7-Dimethoxy-3-(5,6,7,8-Tetrahydro-4-Hydroxy-6-Methyl-1,3-Dioxolo[4,5-g]Isoquinolin-5-Yl)Phthalide
[CAS# 521-40-4]

Identification

• Name: [S-(R*,R*)]-6,7-Dimethoxy-3-(5,6,7,8-Tetrahydro-4-Hydroxy-6-Methyl-1,3-Dioxolo[4,5-g]Isoquinolin-5-Yl)Phthalide
• Synonyms: (3S)-3-[(5R)-4-Hydroxy-6-Methyl-7,8-Dihydro-5H-[1,3]Dioxolo[4,5-G]Isoquinolin-5-Yl]-6,7-Dimethoxy-3H-Isobenzofuran-1-One; C09593; Narcotoline
• Molecular Formula: C₂₁H₂₁NO₇
• Molecular Weight: 399.40
• CAS Registry Number: 521-40-4
• EINECS: 208-313-6
• SMILES: [C@H]2(C1=CC=C(C(=C1C(O2)=O)OC)OC)[C@H]5C4=C(C=C3OCOC3=C4O)CCN5C
• InChI: 1S/C21H21NO7/c1-22-7-6-10-8-13-20(28-9-27-13)17(23)14(10)16(22)18-11-4-5-12(25-2)19(26-3)15(11)21(24)29-18/h4-5,8,16,18,23H,6-7,9H2,1-3H3/t16-,18+/m1/s1
• InChIKey: LMGZCSKYOKDBES-AEFFLSMTSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 538.0±50.0°C at 760 mmHg (Cal.)
• Flash point: 279.2±30.1°C (Cal.)