Troxerutin

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Name
Troxerutin
Accession Number
DB13124
Type
Small Molecule
Groups
Investigational
Description

Troxerutin has been used in trials studying the treatment of Chronic Venous Insufficiency.

Structure
Thumb
Synonyms
  • Troxerutin
  • Troxerutina
Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing End
Elas gelTroxerutin (3000 mg/100g) + Ginkgo biloba (140 mg/100g)LotionTopicalCho-A Pharm.Co.,Ltd.2017-02-28Not applicableUs
Categories
UNII
7Y4N11PXO8
CAS number
7085-55-4
Weight
Average: 742.6752
Monoisotopic: 742.232029162
Chemical Formula
C33H42O19
InChI Key
IYVFNTXFRYQLRP-VVSTWUKXSA-N
InChI
InChI=1S/C33H42O19/c1-14-23(38)26(41)28(43)32(49-14)48-13-21-24(39)27(42)29(44)33(51-21)52-31-25(40)22-17(37)11-16(45-7-4-34)12-20(22)50-30(31)15-2-3-18(46-8-5-35)19(10-15)47-9-6-36/h2-3,10-12,14,21,23-24,26-29,32-39,41-44H,4-9,13H2,1H3/t14-,21+,23-,24+,26+,27-,28+,29+,32+,33-/m0/s1
IUPAC Name
2-[3,4-bis(2-hydroxyethoxy)phenyl]-5-hydroxy-7-(2-hydroxyethoxy)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-4-one
SMILES
C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(OCCO)=CC(O)=C4C3=O)C3=CC(OCCO)=C(OCCO)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
Not Available
Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Not Available
Route of elimination
Not Available
Half life
Not Available
Clearance
Not Available
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteraction
(R)-warfarinThe risk or severity of bleeding can be increased when Troxerutin is combined with (R)-warfarin.
(S)-WarfarinThe risk or severity of bleeding can be increased when Troxerutin is combined with (S)-Warfarin.
4-hydroxycoumarinThe risk or severity of bleeding can be increased when Troxerutin is combined with 4-hydroxycoumarin.
AbciximabThe risk or severity of bleeding can be increased when Abciximab is combined with Troxerutin.
AcenocoumarolThe risk or severity of bleeding can be increased when Acenocoumarol is combined with Troxerutin.
Acetylsalicylic acidThe risk or severity of bleeding can be increased when Troxerutin is combined with Acetylsalicylic acid.
AlteplaseThe risk or severity of bleeding can be increased when Troxerutin is combined with Alteplase.
AmediplaseThe risk or severity of bleeding can be increased when Troxerutin is combined with Amediplase.
AnagrelideThe risk or severity of bleeding can be increased when Troxerutin is combined with Anagrelide.
AncrodThe risk or severity of bleeding can be increased when Ancrod is combined with Troxerutin.
Food Interactions
Not Available

References

General References
Not Available
External Links
Human Metabolome Database
HMDB0006083
PubChem Compound
5486699
PubChem Substance
347829247
ChemSpider
4589027
ChEMBL
CHEMBL3182320
Wikipedia
Troxerutin
ATC Codes
C05CA04 — TroxerutinC05CA54 — Troxerutin, combinations

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
4CompletedTreatmentChronic Venous Insufficiency (CVI)1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
FormRouteStrength
LotionTopical
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility1.43 mg/mLALOGPS
logP-0.55ALOGPS
logP-2.5ChemAxon
logS-2.7ALOGPS
pKa (Strongest Acidic)8.34ChemAxon
pKa (Strongest Basic)-2.8ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count19ChemAxon
Hydrogen Donor Count10ChemAxon
Polar Surface Area293.21 Å2ChemAxon
Rotatable Bond Count15ChemAxon
Refractivity172.47 m3·mol-1ChemAxon
Polarizability73.12 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position.
Kingdom
Organic compounds
Super Class
Phenylpropanoids and polyketides
Class
Flavonoids
Sub Class
Flavonoid glycosides
Direct Parent
Flavonoid-3-O-glycosides
Alternative Parents
5-hydroxyflavonoids / Flavones / Chromones / Disaccharides / O-glycosyl compounds / Phenoxy compounds / Phenol ethers / 1-hydroxy-4-unsubstituted benzenoids / 1-hydroxy-2-unsubstituted benzenoids / Alkyl aryl ethers
show 11 more
Substituents
Flavonoid-3-o-glycoside / 5-hydroxyflavonoid / Hydroxyflavonoid / Flavone / O-glycosyl compound / Glycosyl compound / Chromone / Disaccharide / Benzopyran / 1-benzopyran
show 25 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 21:27 / Updated on December 16, 2018 07:00