Codeine Phosphate Sesquihydrate
[CAS# 5913-76-8]

Identification

• Name: Codeine Phosphate Sesquihydrate
• Synonyms: Morphinan-6-Alpha-Ol, 7,8-Didehydro-4,5-Alpha-Epoxy-3-Methoxy-17-Methyl-, Phosphate, Sesquihydrate (3:3:2)
• Molecular Formula: C₃₆H₅₄N₂O₁₇P₂
• Molecular Weight: 848.77
• CAS Registry Number: 5913-76-8
• SMILES: [C@]134[C@H]5OC2=C(OC)C=CC(=C12)C[C@@H](N(CC3)C)[C@@H]4C=C[C@@H]5O.[C@]689[C@H]%10OC7=C(OC)C=CC(=C67)C[C@@H](N(CC8)C)[C@@H]9C=C[C@@H]%10O.O=[P](O)(O)O.O=[P](O)(O)O.O.O.O
• InChI: 1S/2C18H21NO3.2H3O4P.3H2O/c2*1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;2*1-5(2,3)4;;;/h2*3-6,11-13,17,20H,7-9H2,1-2H3;2*(H3,1,2,3,4);3*1H2/t2*11-,12+,13-,17-,18-;;;;;/m00...../s1
• InChIKey: UDIMULCGRYVAIM-REWFBLHLSA-N

Properties

• Boiling point: 462°C at 760 mmHg (Cal.)
• Flash point: 233.2°C (Cal.)