NAV

Alloin

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

Identification

Generic Name
Alloin
DrugBank Accession Number
DB15477
Background

Not Available

Type
Small Molecule
Groups
Approved, Experimental
Structure
3D
Similar Structures
Weight
Average: 418.398
Monoisotopic: 418.126382288
Chemical Formula
C21H22O9
Synonyms
  • Aloin
  • Aloin, Cape
  • Aloin, curaco
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Pharmacology

Indication

Not Available

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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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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.
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interactions in your software
AcetazolamideThe risk or severity of dehydration can be increased when Acetazolamide is combined with Alloin.
AclidiniumThe therapeutic efficacy of Alloin can be decreased when used in combination with Aclidinium.
AlfentanilThe therapeutic efficacy of Alloin can be decreased when used in combination with Alfentanil.
AmantadineThe therapeutic efficacy of Alloin can be decreased when used in combination with Amantadine.
AmilorideThe risk or severity of dehydration can be increased when Amiloride is combined with Alloin.
Food Interactions
Not Available

Products

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Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
Aid-lax TabAlloin (12 mg / tab) + Frangula purshiana bark (30 mg / tab) + Phenolphthalein (100 mg / tab) + Sodium taurocholate (60 mg / tab)TabletOralNobel Pharm Enr.1989-12-311997-07-31Canada flag
AlsilineAlloin (12 mg / tab) + Frangula purshiana bark (30 mg / tab) + Phenolphthalein (100 mg / tab) + Sodium taurocholate (60 mg / tab)TabletOralAlsi Cie Ltee1978-12-311997-08-08Canada flag
Bicholate Lilas TabAlloin (12 mg) + Frangula purshiana bark (30 mg) + Phenolphthalein (100 mg) + Sodium taurocholate (60 mg)TabletOralSabex Inc1991-12-311997-10-10Canada flag
Bilex TabAlloin (12 mg) + Frangula purshiana bark (30 mg) + Phenolphthalein (100 mg) + Sodium taurocholate (60 mg)TabletOralBiodo Enrg1978-12-311997-10-10Canada flag
Carters Little Pills TabAlloin (8 mg / tab) + Phenolphthalein (16 mg / tab)TabletOralCarter Products, Division Of Carter Wallace Ns Inc.1978-12-311997-08-14Canada flag

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
W41H6S09F4
CAS number
8015-61-0
InChI Key
AFHJQYHRLPMKHU-CGISPIQUSA-N
InChI
InChI=1S/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2/t13-,14?,17-,19+,20-,21+/m1/s1
IUPAC Name
1,8-dihydroxy-3-(hydroxymethyl)-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9,10-dihydroanthracen-9-one
SMILES
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1C2=CC=CC(O)=C2C(=O)C2=C1C=C(CO)C=C2O

References

General References
Not Available
ChemSpider
8042387
BindingDB
50269016
RxNav
17354
ChEBI
73222
ChEMBL
CHEMBL497001
Wikipedia
Aloin

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
TabletOral
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility2.63 mg/mLALOGPS
logP-0.49ALOGPS
logP0.41Chemaxon
logS-2.2ALOGPS
pKa (Strongest Acidic)8.31Chemaxon
pKa (Strongest Basic)-2.9Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count9Chemaxon
Hydrogen Donor Count7Chemaxon
Polar Surface Area167.91 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity103.79 m3·mol-1Chemaxon
Polarizability40.97 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
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/MSsplash10-0ldi-0061900000-2145c3838ca819834f50
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-02ta-0934500000-f6af1d749c4027863b2e
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0f79-0195500000-a6550d03249b53b8a18f
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-067j-0039100000-9bc800c36392d3423323
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-066r-1192000000-1703cf42955fae25a516
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4s-1395000000-ef0034ed0803e1364b50
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at August 30, 2019 15:38 / Updated at June 12, 2020 16:53