Buprenorphine B-D-glucuronide

Base Information

• Chemical Name: Buprenorphine B-D-glucuronide
• CAS No.: 101224-22-0
• Molecular Formula: C35H49 N O10
• Molecular Weight: 643.76
• DSSTox Substance ID: DTXSID40906012
• Wikidata: Q19596211
• Mol file: 101224-22-0.mol

Synonyms:DTXSID40906012;BUPRENORPHINE B-D-GLUCURONIDE;Q19596211;17-(Cyclopropylmethyl)-7-(2-hydroxy-3,3-dimethylbutan-2-yl)-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-2-yl hexopyranosiduronic acid

 This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.

Chemical Property of Buprenorphine B-D-glucuronide

Chemical Property:

• Boiling Point: °Cat760mmHg
• PKA: 2.77±0.70(Predicted)
• Flash Point: °C
• PSA: 158.38000
• Density: 1.43g/cm³
• LogP: 1.91710
• Storage Temp.: Controlled Substance, -20°C Freezer
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 8
• Exact Mass: 643.33564676
• Heavy Atom Count: 46
• Complexity: 1240

Purity/Quality:

Safty Information:

• Pictogram(s): F,T
• Hazard Codes: F,T
• Statements: 11-23/24/25-39/23/24/25
• Safety Statements: 7-16-36/37-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C(C)(C1CC23CCC1(C4C25CCN(C3CC6=C5C(=CC(=C6)OC7C(C(C(C(O7)C(=O)O)O)O)O)O4)CC8CC8)OC)O
• Isomeric SMILES: C[C@]([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=CC(=C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)O4)CC8CC8)OC)(C(C)(C)C)O
• Uses: A metabolite of Buprenorphine (B689570). Controlled substance. A metabolite of Buprenorphine. Controlled substance