Troxerutin

Base Information

• Chemical Name: Troxerutin
• CAS No.: 55965-63-4
• Deprecated CAS: 12041-99-5,68244-17-7,27321-15-9,29702-52-1,37396-63-7,96304-71-1,1260230-02-1,288306-51-4
• Molecular Formula: C33H42O19
• European Community (EC) Number: 230-389-4
• UNII: 7Y4N11PXO8
• DSSTox Substance ID: DTXSID4045929
• Nikkaji Number: J9.645H
• Wikipedia: Troxerutin
• Wikidata: Q72515635
• NCI Thesaurus Code: C66645
• Metabolomics Workbench ID: 38818
• ChEMBL ID: CHEMBL3182320
• Mol file: 55965-63-4.mol

Synonyms:3',4',7-trihydroxyethylrutin;3',4',7-tris(O-(2- hydroxyethyl))rutin;oxerutin;Paroven;Posorutin;Relvene;Rhéoflux;Teboven;Troxérutine Mazal;troxerutin;Troxerutin-ratiopharm;Troxeven;Vastribil;Veinamitol;Veniten retard;Veno SL;Venorutin;venoruton;venoruton P4;Venotrulan Trox;vitamin P4

Chemical Property of Troxerutin

Chemical Property:

• Melting Point: 156°
• XLogP3: -2.4
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 19
• Rotatable Bond Count: 15
• Exact Mass: 742.23202911
• Heavy Atom Count: 52
• Complexity: 1170

Purity/Quality:

ORTHO-(BETA-HYDROXYETHYL)RUTINOSIDES 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OCCO)C5=CC(=C(C=C5)OCCO)OCCO)O)O)O)O)O)O
• Isomeric SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OCCO)C5=CC(=C(C=C5)OCCO)OCCO)O)O)O)O)O)O