Codeine-6-glucuronide
[CAS# 20736-11-2]

Identification

• Name: Codeine-6-glucuronide
• Synonyms: Beta-D-Glucopyranosiduronic Acid, (5Alpha,6Alpha)-7,8-Didehydro-4,5-Epoxy-3-Methoxy-17-Methylmorphinan-6-Yl; Codeine-6-Glucuronide
• Molecular Formula: C₂₄H₂₉NO₉
• Molecular Weight: 475.49
• CAS Registry Number: 20736-11-2
• SMILES: [C@]124[C@@H]6[C@H](N(CC1)C)CC3=CC=C(OC)C(=C23)O[C@H]4[C@@H](O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(=O)O)C=C6
• InChI: 1S/C24H29NO9/c1-25-8-7-24-11-4-6-14(32-23-18(28)16(26)17(27)20(34-23)22(29)30)21(24)33-19-13(31-2)5-3-10(15(19)24)9-12(11)25/h3-6,11-12,14,16-18,20-21,23,26-28H,7-9H2,1-2H3,(H,29,30)/t11-,12+,14-,16-,17-,18+,20-,21-,23+,24-/m0/s1
• InChIKey: CRWVOYRJXPDBPM-HSCJLHHPSA-N

Properties

• Density: 1.561g/cm³ (Cal.)
• Boiling point: 713.367°C at 760 mmHg (Cal.)
• Flash point: 385.23°C (Cal.)