(5alpha)-17-(cyclopropylmethyl)-4,5-epoxy-14-hydroxy-6-methylenemorphinan-3-yl 2-O-beta-D-glucopyranurosyl-beta-D-Glucopyranosiduronic acid
[CAS# 119465-20-2]

Identification

• Name: (5alpha)-17-(cyclopropylmethyl)-4,5-epoxy-14-hydroxy-6-methylenemorphinan-3-yl 2-O-beta-D-glucopyranurosyl-beta-D-Glucopyranosiduronic acid
• Synonyms: Nalmafene 3-O-Diglucuronide
• Molecular Formula: C₃₃H₄₁NO₁₅
• Molecular Weight: 691.68
• CAS Registry Number: 119465-20-2
• SMILES: C1=CC(=C6C2=C1CC4C3(CCC(C(C23CCN4CC5CC5)O6)=C)O)OC7C(C(C(C(O7)C(O)=O)O)O)OC8C(C(C(C(O8)C(O)=O)O)O)O
• InChI: 1S/C33H41NO15/c1-12-6-7-33(44)16-10-14-4-5-15(23-17(14)32(33,27(12)46-23)8-9-34(16)11-13-2-3-13)45-31-26(21(38)20(37)25(48-31)29(42)43)49-30-22(39)18(35)19(36)24(47-30)28(40)41/h4-5,13,16,18-22,24-27,30-31,35-39,44H,1-3,6-11H2,(H,40,41)(H,42,43)
• InChIKey: SIQVTALXLWFRFE-UHFFFAOYSA-N

Properties

• Density: 1.697g/cm³ (Cal.)