PHL89280

Silybin (A + B mixture)

phyproof^® Reference Substance

• Synonym(s): Silybin, (2R,3R)-3,5,7-Trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-hydroxymethyl-2,3-dihydrobenzo[1,4]dioxin-6-yl]chroman-4-one, Silibinin
• Empirical Formula (Hill Notation): C₂₅H₂₂O₁₀
• CAS Number: 802918-57-6
• Molecular Weight: 482.44
• UNSPSC Code: 41116107
• NACRES: NA.24

Properties

• grade: primary reference standard
• product line: phyproof^® Reference Substance
• Assay: ≥95.0% (HPLC)
• manufacturer/tradename: PhytoLab
• application(s): food and beverages
• format: neat
• storage temp.: 2-8°C
• SMILES string: COc1cc(ccc1O)C2Oc3cc(ccc3OC2CO)[C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O
• InChI: 1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20?,23-,24?,25+/m0/s1
• InChI key: SEBFKMXJBCUCAI-DBMPWETRSA-N

Description

General description

This substance is a primary reference substance with assigned absolute purity (considering chromatographic purity, water, residual solvents, inorganic impurities). The exact value can be found on the certificate. Produced by PhytoLab GmbH & Co. KG

Application

• Opioid receptor binding studies: An analysis of irreversible binding of cis-(+)-3-methylfentanyl isothiocyanate to the delta opioid receptor demonstrates its unique interaction and potential for understanding opioid receptor pharmacology (Zhu et al., 1996).


• Forensic detection of synthetic opioids: A forensic study details the screening and quantification of opioid drugs, including cis-3-Methylfentanyl, in post-mortem samples using advanced mass spectrometry techniques, crucial for toxicological analysis and forensic applications (Gergov et al., 2009).


• Molecular docking studies on fentanyl: A study featuring molecular docking to reveal a novel binding site model for fentanyl on the mu-opioid receptor contributes valuable insights that are applicable to cis-3-Methylfentanyl′s interaction at opioid receptors, useful for developing targeted analgesics (Subramanian et al., 2000).

Other Notes

This compound is commonly found in plants of the genus: silybum

Legal Information

phyproof is a registered trademark of PhytoLab GmbH & Co. KG

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H302
• Precautionary Statements: P264 - P270 - P301 + P312 + P330 - P501
• Hazard Classifications: Acute Tox. 4 Oral
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable