Hydromorphone 3-glucuronide

Base Information

• Chemical Name: Hydromorphone 3-glucuronide
• CAS No.: 40505-76-8
• Molecular Formula: C23H27NO9
• Molecular Weight: 461.46
• UNII: A3A3GA26VJ
• DSSTox Substance ID: DTXSID201018777
• Nikkaji Number: J280.530H
• Mol file: 40505-76-8.mol

Synonyms:Hydromorphone 3-glucuronide;40505-76-8;A3A3GA26VJ;Hydromorphone-3-b-D-glucuronide;DTXSID201018777;W-202666;(2S,3S,4S,5R,6S)-6-[[(4R,4aR,7aR,12bS)-3-methyl-7-oxo-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (5.ALPHA.)-4,5-EPOXY-17-METHYL-6-OXOMORPHINAN-3-YL;Hydromorphone-3-beta-D-glucuronide, 100 mug/mL in methanol: water (1:1), ampule of 1 mL, certified reference material

Chemical Property of Hydromorphone 3-glucuronide

Chemical Property:

• Boiling Point: 744.5±60.0 °C(Predicted)
• PKA: 2.77±0.70(Predicted)
• Flash Point: 24℃
• Density: 1.61±0.1 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• XLogP3: -2
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 3
• Exact Mass: 461.16858144
• Heavy Atom Count: 33
• Complexity: 839

Purity/Quality:

95%+ or 98%+ ^*data from raw suppliers

Hydromorphone-3-β-D-glucuronide 100?μg/mL in methanol: water (1:1), ampule of 1?mL, certified reference material, Cerilliant? ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 10-23/24/25-39/23/24/25
• Safety Statements: 36/37-45

MSDS Files:

Useful:

• Canonical SMILES: CN1CCC23C4C1CC5=C2C(=C(C=C5)OC6C(C(C(C(O6)C(=O)O)O)O)O)OC3C(=O)CC4
• Isomeric SMILES: CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)O[C@H]3C(=O)CC4

Technology Process of Hydromorphone 3-glucuronide

There total 1 articles about Hydromorphone 3-glucuronide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 15.0%

hydromorphone (466-99-9) → hydromorphone-3-glucuronide (40505-76-8)

Guidance literature:

With lithium hydroxide; In methanol; water; for 5h;

DOI:10.1080/00498250110119090

upstream raw materials:

hydromorphone