Capnoidine
[CAS# 485-50-7]

Identification

• Name: Capnoidine
• Synonyms: Furo(3,4-E)-1,3-Benzodioxol-8(6H)-One, 6-(5,6,7,8-Tetrahydro-6-Methyl-1,3-Dioxolo(4,5-G)Isoquinolin-5-Yl)-, (R-(R*,R*))-; C09372; L-Adlumidine
• Molecular Formula: C₂₀H₁₇NO₆
• Molecular Weight: 367.36
• CAS Registry Number: 485-50-7
• SMILES: [C@@H]2(C1=CC=C3C(=C1C(O2)=O)OCO3)[C@H]6C4=C(C=C5C(=C4)OCO5)CCN6C
• InChI: 1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3/t17-,18-/m1/s1
• InChIKey: IYGYMKDQCDOMRE-QZTJIDSGSA-N

Properties

• Density: 1.473g/cm³ (Cal.)
• Boiling point: 542.326°C at 760 mmHg (Cal.)
• Flash point: 281.789°C (Cal.)