Escin
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Name
- Escin
- Accession Number
- DB15907
- Description
- Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Escin (DB15907)
- Weight
- Average: 2262.538
Monoisotopic: 2261.101807298 - Chemical Formula
- C110H172O48
- Synonyms
- Aescin
- External IDs
- 229-880-6
Pharmacology
Accelerate your drug discovery research with the industry’s only fully connected ADMET dataset, ideal for:Accelerate your drug discovery research with our fully connected ADMET dataset- Indication
- Not Available
- Associated Conditions
- Concussions
- Contusions
- Inflammatory Reaction
- Inflammatory Reaction of the Lumbar Disc
- Inflammatory Reaction of the Neck
- Inflammatory Reaction of the Veins
- Inflammatory Reaction of the spine
- Local swelling
- Lumbar Discogenic Pain
- Neck Pain
- Soreness, Muscle
- Spinal pain
- Swelling of the Leg
- Swelling of the Lumbar Disc
- Swelling of the Neck
- Swelling of the spine
- Hematomas
- Joint sprains
- Varicosities of the great saphenous vein
- Contraindications & Blackbox Warnings
Contraindications & Blackbox WarningsWith our commercial data, access important information on dangerous risks, contraindications, and adverse effects.Our Blackbox Warnings cover Risks, Contraindications, and Adverse Effects- 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
Reduce medical errorsand improve treatment outcomes with our comprehensive & structured data on drug adverse effects.Reduce medical errors & improve treatment outcomes with our adverse effects data- Toxicity
- Not Available
- Affected organisms
- 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
Comprehensive & structured drug product infoFrom application numbers to product codes, connect different identifiers through our commercial datasets.Easily connect various identifiers back to our datasets- Mixture Products
Name Ingredients Dosage Route Labeller Marketing Start Marketing End Region Image เรพาริล เจล เอ็น Escin (1 G/100G) + Diethylamine salicylate (5 G/100G) Gel บริษัท เมด้า ฟาม่าร์ (ประเทศไทย) จำกัด 2010-07-09 Not applicable Thailand 
Categories
- Drug Categories
- Classification
- Not classified
Chemical Identifiers
- UNII
- RUU8G67GQM
- CAS number
- 6805-41-0
- InChI Key
- YFESOSRPNPYODN-RSMWSHJLSA-N
- InChI
- InChI=1S/2C55H86O24/c2*1-10-23(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/h2*10-11,26-44,47-49,56-59,61-68H,12-22H2,1-9H3,(H,69,70)/b23-10+;23-10-/t2*26?,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+/m11/s1
- IUPAC Name
- (2S,3S,4S,5R,6R)-6-{[(4S,6aR,6bS,8R,8aR,9R,10R,14bR)-9-(acetyloxy)-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-{[(2E)-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; (2S,3S,4S,5R,6R)-6-{[(4S,6aR,6bS,8R,8aR,9R,10R,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])(OC3CC[C@@]4(C)C(CC[C@]5(C)C4CC=C4C6CC(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.[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])(OC3CC[C@@]4(C)C(CC[C@]5(C)C4CC=C4C6CC(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
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2, 3 Recruiting Supportive Care Coronavirus Disease 2019 (COVID‑19) / Infections, Coronavirus 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Gel Cutaneous Gel Topical Tablet, coated Oral Emulsion Cutaneous Tablet, sugar coated Oral Gel - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.773 mg/mL ALOGPS logP 1.17 ALOGPS logP -0.88 ChemAxon logS -3.2 ALOGPS pKa (Strongest Acidic) 3.35 ChemAxon pKa (Strongest Basic) -3.6 ChemAxon Physiological Charge -1 ChemAxon Hydrogen Acceptor Count 22 ChemAxon Hydrogen Donor Count 13 ChemAxon Polar Surface Area 388.04 Å2 ChemAxon Rotatable Bond Count 32 ChemAxon Refractivity 269.78 m3·mol-1 ChemAxon Polarizability 118.99 Å3 ChemAxon Number of Rings 16 ChemAxon Bioavailability 0 ChemAxon Rule of Five No ChemAxon Ghose Filter No ChemAxon Veber's Rule No ChemAxon MDDR-like Rule Yes ChemAxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
Drug created on November 20, 2020 17:37 / Updated on November 23, 2020 17:32