NAV

beta-Escin

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

Identification

Summary

beta-Escin is an anti-inflammatory and vasoconstrictive agent indicated to treat minor muscle and joint trauma.

Generic Name
beta-Escin
DrugBank Accession Number
DB15774
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Similar Structures
Weight
Average: 1131.269
Monoisotopic: 1130.550903649
Chemical Formula
C55H86O24
Synonyms
  • Aescin B
  • beta-Aescin
  • beta-Escin
External IDs
  • EINECS 247-619-4
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Pharmacology

Indication

Not Available

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Associated Conditions
Indication TypeIndicationCombined Product DetailsApproval LevelAge GroupPatient CharacteristicsDose Form
Used in combination for symptomatic treatment ofBack pain lower backCombination Product in combination with: Salicylic acid (DB00936)•••••••••••••••• •••••
Used in combination for symptomatic treatment ofBack pain, unspecifiedCombination Product in combination with: Salicylic acid (DB00936)•••••••••••••••• •••••
Treatment ofCapillary fragility•••••••••••••••••••••• ••••••• ••• ••••••••• ••••••
Used in combination for symptomatic treatment ofCervical syndromeCombination Product in combination with: Salicylic acid (DB00936)•••••••••••••••• •••••
Used in combination for symptomatic treatment ofSciaticaCombination Product in combination with: Salicylic acid (DB00936)•••••••••••••••• •••••
Contraindications & Blackbox Warnings
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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

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Products

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International/Other Brands
Flogencyl
Over the Counter Products
NameDosageStrengthRouteLabellerMarketing StartMarketing EndRegionImage
Reparil 20mgTabletsTabletOralMYLAN HEALTHCARE SDN. BHD.2020-09-08Not applicableMalaysia flag
Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
JELGO %1 + % 5 JEL, 50 GRAMbeta-Escin (1 %) + Diethylamine salicylate (5 %)GelTopicalTRIPHARMA İLAÇ SAN. VE TİC. A.Ş.2017-04-07Not applicableTurkey flag
PREPA-S SPREY, 100 MLbeta-Escin (0.025 g/ml) + Diethylamine salicylate (0.125 g/ml)SprayTopicalRECORDATİ İLAÇ SAN. VE TİC. A.Ş.2010-07-16Not applicableTurkey flag
PREPAGEL %1+%5 JEL, 40 Gbeta-Escin (1 %) + Diethylamine salicylate (5 %)GelTopicalRECORDATİ İLAÇ SAN. VE TİC. A.Ş.1997-07-25Not applicableTurkey flag
RECTOREPARILbeta-Escin (45 mg) + Tetracaine hydrochloride (5 mg)SuppositoryRectalViatris Italia S.R.L.2014-07-082023-08-12Italy flag
RECTOREPARILbeta-Escin (45 mg) + Tetracaine hydrochloride (5 mg)SuppositoryRectalViatris Italia S.R.L.2014-07-082023-08-12Italy flag

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
QYK0D6H79O
CAS number
26339-90-2
InChI Key
AXNVHPCVMSNXNP-OXPBSUTMSA-N
InChI
InChI=1S/C55H86O24/c1-10-23(2)46(71)79-43-44(72-24(3)60)55(22-59)26(17-50(43,4)5)25-11-12-30-51(6)15-14-32(52(7,21-58)29(51)13-16-53(30,8)54(25,9)18-31(55)61)75-49-41(77-48-38(67)36(65)34(63)28(20-57)74-48)39(68)40(42(78-49)45(69)70)76-47-37(66)35(64)33(62)27(19-56)73-47/h10-11,26-44,47-49,56-59,61-68H,12-22H2,1-9H3,(H,69,70)/b23-10-/t26-,27+,28+,29+,30+,31+,32-,33+,34+,35-,36-,37+,38+,39-,40-,41+,42-,43-,44-,47-,48-,49+,51-,52+,53+,54+,55-/m0/s1
IUPAC Name
(2S,3S,4S,5R,6R)-6-{[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-(acetyloxy)-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-{[(2Z)-2-methylbut-2-enoyl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-4-hydroxy-3,5-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxane-2-carboxylic acid
SMILES
[H][C@@]1(O[C@H]2[C@H](O)[C@@H](O[C@]3([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@]([H])(O[C@H]3CC[C@@]4(C)[C@@]([H])(CC[C@]5(C)[C@]4([H])CC=C4[C@]6([H])CC(C)(C)[C@@H](OC(=O)C(\C)=C/C)[C@H](OC(C)=O)[C@]6(CO)[C@H](O)C[C@@]54C)[C@@]3(C)CO)O[C@@H]2C(O)=O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

References

General References
  1. AIFA Product Information: EDEVEXIN (beta-Escin) injection and tablet [Link]
KEGG Compound
C08921
ChemSpider
4977652
BindingDB
50466108
RxNav
1476
ChEBI
2500
ChEMBL
CHEMBL505939
Wikipedia
Deserpidine

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
GelTopical1 %
GelTopical2 %
Powder, for solutionIntravenous5 MG/5ML
Tablet, coatedOral40 MG
SprayTopical
CreamRectal
TabletOral
GelTopical
OintmentTopical
SuppositoryRectal
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.773 mg/mLALOGPS
logP1.17ALOGPS
logP-0.88Chemaxon
logS-3.2ALOGPS
pKa (Strongest Acidic)3.35Chemaxon
pKa (Strongest Basic)-3.6Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count22Chemaxon
Hydrogen Donor Count13Chemaxon
Polar Surface Area388.04 Å2Chemaxon
Rotatable Bond Count16Chemaxon
Refractivity269.78 m3·mol-1Chemaxon
Polarizability118.85 Å3Chemaxon
Number of Rings8Chemaxon
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/MSsplash10-03e9-1900120002-c4fa093ad51e5a953e0d
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-7900000001-628817ac151682f3b109
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03yj-1900020021-91ca16d4cf10d4d1dcdf
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-9000000000-fae1ba23bc590b9cf768
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0py3-9500000035-9bd34fdb2e3d2b10e249
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-4900002102-d8b62d9d08a012faaaa5
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at August 21, 2020 14:21 / Updated at May 14, 2021 01:07