Stercobilinogen

Base Information

• Chemical Name: Stercobilinogen
• CAS No.: 17095-63-5
• Molecular Formula: C₃₃H₄₈N₄O₆
• Molecular Weight: 596.767
• UNII: 91VQJ22OZ5
• DSSTox Substance ID: DTXSID80904012
• Nikkaji Number: J37.259E
• Wikipedia: Stercobilinogen
• Wikidata: Q2413085
• Metabolomics Workbench ID: 53251
• Mol file: 17095-63-5.mol

Synonyms:stercobilinogen

Chemical Property of Stercobilinogen

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 843.8°Cat760mmHg
• PKA: 4.68±0.10(Predicted)
• Flash Point: 464.1°C
• PSA: 171.36000
• Density: 1.19g/cm³
• LogP: 4.54300
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 4
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 14
• Exact Mass: 596.35738526
• Heavy Atom Count: 43
• Complexity: 1020

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1C(C(=O)NC1CC2=C(C(=C(N2)CC3=C(C(=C(N3)CC4C(C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C
• Isomeric SMILES: CC[C@@H]1[C@H](C(=O)N[C@H]1CC2=C(C(=C(N2)CC3=C(C(=C(N3)C[C@H]4[C@@H]([C@H](C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C
• Uses: Stercobilinogen is a chemical created by bacteria in the gut. It is made of broken-down hemoglobin and further processed to become the chemical that gives feces its brown color. Stercobilinogen is oxidized to stercobilin, which is responsible for the pigmentation of feces. Stercobilin is also a potential biomarker for autism.

Technology Process of Stercobilinogen

There total 1 articles about Stercobilinogen 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:

bilirubin (635-65-4,114-24-9) → L-urobilinogen (17095-63-5,19399-21-4,19399-22-5,612-73-7)

Guidance literature:

With palladium on activated charcoal; hydrogen; In acetic acid; at 65 ℃; for 1.5h; under 1060.18 Torr; Inert atmosphere; Darkness;

DOI:10.1002/jlcr.3629

Reference yield:

L-urobilinogen (17095-63-5,19399-21-4,19399-22-5,612-73-7) → stercobilin (19294-62-3,19294-63-4,30505-50-1,34217-90-8,34217-91-9,34217-92-0)

Guidance literature:

With copper(II) sulfate; In water; at 20 ℃; for 1.5h; Darkness;

DOI:10.1002/jlcr.3629

upstream raw materials:

bilirubin

Downstream raw materials:

stercobilin

Refernces