Physicochemical Properties
Molecular Formula | C27H36O19 |
Molecular Weight | 664.56 |
Exact Mass | 324.266 |
CAS # | 250249-75-3 |
Related CAS # | Rutin;153-18-4;Rutin hydrate;207671-50-9 |
PubChem CID | 16218542 |
Appearance | Light yellow to green yellow solid powder |
Density | 1.82g/cm3 |
Boiling Point | 983.1ºC at 760mmHg |
Melting Point | 195ºC |
Flash Point | 325.4ºC |
Vapour Pressure | 0mmHg at 25°C |
Index of Refraction | 1.764 |
LogP | 6.345 |
Hydrogen Bond Donor Count | 13 |
Hydrogen Bond Acceptor Count | 19 |
Rotatable Bond Count | 6 |
Heavy Atom Count | 46 |
Complexity | 1020 |
Defined Atom Stereocenter Count | 10 |
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)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O.O.O.O |
InChi Key | NLLBWFFSGHKUSY-JPRRWYCFSA-N |
InChi Code | InChI=1S/C27H30O16.3H2O/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9;;;/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3;3*1H2/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-;;;/m0.../s1 |
Chemical Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one;trihydrate |
HS Tariff Code | 2934.99.9001 |
Storage |
Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
Shipping Condition | Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs) |
Biological Activity
ln Vitro | Rutin (Rutoside) trihydrate (0.5-160 μM/ml; PC12 cells) dramatically reduces the cytotoxicity generated by 5.46 mM acrylamide (ACR). In PC12 cells, pretreatment with rutin (0.5, 1, 1.5, 2.5, 5, 10, 20, and 40 μM/ml) boosts cell viability while ACR (5.46 mM) lowers it[2]. Rutin and/or its metabolites have been demonstrated to alter the cognitive and behavioral symptoms of neurodegenerative illnesses, possibly as a result of its capacity to pass the blood brain barrier[3]. |
ln Vivo | Aged male WAG rats were given rutin pretreatment (100 and 200 mg/kg/day; ip) for an extended period of time, which changed their behavior and neurochemistry[2]. |
References |
[1]. Formulation of microencapsulated rutin and evaluation of bioactivity and stability upon in vitro digestive and dialysis conditions. Int J Biol Macromol. 2020;159:316-323. [2]. Effect of Rutin on Diabetic Auditory Neuropathy in an Experimental Rat Model. Clin Exp Otorhinolaryngol. 2021;14(3):259-267. [3]. Habtemariam S. Rutin as a Natural Therapy for Alzheimer's Disease: Insights into its Mechanisms of Action. Curr Med Chem. 2016;23(9):860-873. |
Solubility Data
Solubility (In Vitro) | DMSO : 50 mg/mL (75.24 mM) |
Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (3.76 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (3.76 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C,1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution.  (Please use freshly prepared in vivo formulations for optimal results.) |
Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
1 mM | 1.5048 mL | 7.5238 mL | 15.0476 mL | |
5 mM | 0.3010 mL | 1.5048 mL | 3.0095 mL | |
10 mM | 0.1505 mL | 0.7524 mL | 1.5048 mL |