Buprenorphine beta-D-Glucuronide
[CAS# 101224-22-0]

Identification

• Name: Buprenorphine beta-D-Glucuronide
• Synonyms: Buprenorphine-3-O-Glucuronide; Beta-D-Glucopyranosiduronic Acid, (5Alpha,7Alpha-(S))-17-(Cyclopropylmethyl)-4,5-Epoxy-18,19-Dihydro-7-(1-Hydroxy-1,2,2-Trimethylpropyl)-6-Methoxy-6,14-Ethenomorphinan-3-Yl
• Molecular Formula: C₃₅H₄₉NO₁₀
• Molecular Weight: 643.77
• CAS Registry Number: 101224-22-0
• SMILES: [C@@H]46N(CC1CC1)CC[C@]57C3=C(C=C(O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(O)=O)O)O)O)C=C3C4)O[C@H]5[C@@]8([C@H](C[C@]67CC8)[C@@](C(C)(C)C)(O)C)OC
• InChI: 1S/C35H49NO10/c1-31(2,3)32(4,42)21-15-33-8-9-35(21,43-5)30-34(33)10-11-36(16-17-6-7-17)22(33)13-18-12-19(14-20(45-30)23(18)34)44-29-26(39)24(37)25(38)27(46-29)28(40)41/h12,14,17,21-22,24-27,29-30,37-39,42H,6-11,13,15-16H2,1-5H3,(H,40,41)/t21-,22-,24+,25+,26-,27+,29-,30-,32+,33-,34+,35-/m1/s1
• InChIKey: KOTUOCWBKOXDKA-KMMOLZCDSA-N

Properties

• Density: 1.433g/cm³ (Cal.)