Retinoyl beta-glucuronide

Base Information

• Chemical Name: Retinoyl beta-glucuronide
• CAS No.: 401-10-5
• Deprecated CAS: 1004517-36-5
• Molecular Formula: C26H36 O8
• Molecular Weight: 476.562
• Hs Code.: 29389090
• UNII: XB6RQ16Y55
• DSSTox Substance ID: DTXSID40274187
• Metabolomics Workbench ID: 38256
• NCI Thesaurus Code: C63812
• Wikidata: Q27103934
• Mol file: 401-10-5.mol

Synonyms:13-cis-retinoyl glucuronide;9-cis-retinoyl-beta-D-glucuronide;retinoyl beta-glucuronide;retinoyl glucuronide;trans-retinoyl glucuronide

Chemical Property of Retinoyl beta-glucuronide

Chemical Property:

• Vapor Pressure: 7.73E-21mmHg at 25°C
• Boiling Point: 670.4°Cat760mmHg
• Flash Point: 220.1°C
• PSA: 133.52000
• Density: 1.24g/cm³
• LogP: 2.95340
• Storage Temp.: Amber Vial, -20°C Freezer, Under Inert Atmosphere
• Solubility.: DMSO (Slightly), Water (Slightly)
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 8
• Exact Mass: 476.24101810
• Heavy Atom Count: 34
• Complexity: 921

Purity/Quality:

98%min ^*data from raw suppliers

E-Retinoyl b-glucuronide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)OC2C(C(C(C(O2)C(=O)O)O)O)O)C)C
• Isomeric SMILES: CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)/C)/C
• Uses: A biliary metabolite of Vitamin A, occurs endogenously in human blood. RAG is biologically active in promoting the growth of vitamin A-deficient rats and the the induction of differentiation of HL-60 and BA-HAN-1C cells, but less cytotoxic than Retinoic Acids. A biliary metabolite of Vitamin A, occurs endogenously in human blood. RAG is biologically active in promoting the growth of vitamin A-deficient rats and the induction of differentiation of HL-60 and BA-HAN-1C cells, but less cytotoxic than Retinoic Acids.