Alloin

Identification

Generic Name

Alloin

DrugBank Accession Number

DB15477

Background

Not Available

Type

Small Molecule

Groups

Approved, Experimental

Structure

3D

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MOLSDF3D-SDFPDBSMILESInChI

Similar Structures

Structure for Alloin (DB15477)

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Weight

Average: 418.398
Monoisotopic: 418.126382288

Chemical Formula

C₂₁H₂₂O₉

Synonyms

• Aloin
• Aloin, Cape
• Aloin, curaco

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

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.

• Approved
• Vet approved
• Nutraceutical
• Illicit
• Withdrawn
• Investigational
• Experimental
• All Drugs

Drug	Interaction
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Acetazolamide	The risk or severity of adverse effects can be increased when Acetazolamide is combined with Alloin.
Aclidinium	The therapeutic efficacy of Alloin can be decreased when used in combination with Aclidinium.
Alfentanil	The therapeutic efficacy of Alloin can be decreased when used in combination with Alfentanil.
Amantadine	The therapeutic efficacy of Alloin can be decreased when used in combination with Amantadine.
Amiloride	The risk or severity of adverse effects can be increased when Amiloride is combined with Alloin.
Amiodarone	The therapeutic efficacy of Alloin can be decreased when used in combination with Amiodarone.
Amitriptyline	The therapeutic efficacy of Alloin can be decreased when used in combination with Amitriptyline.
Amlodipine	The therapeutic efficacy of Alloin can be decreased when used in combination with Amlodipine.
Amobarbital	The therapeutic efficacy of Alloin can be decreased when used in combination with Amobarbital.
Amoxapine	The therapeutic efficacy of Alloin can be decreased when used in combination with Amoxapine.

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Food Interactions

Not Available

Products

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Mixture Products

Name	Ingredients	Dosage	Route	Labeller	Marketing Start	Marketing End	Region	Image
Aid-lax Tab	Alloin (12 mg / tab) + Frangula purshiana bark (30 mg / tab) + Phenolphthalein (100 mg / tab) + Sodium taurocholate (60 mg / tab)	Tablet	Oral	Nobel Pharm Enr.	1989-12-31	1997-07-31
Alsiline	Alloin (12 mg / tab) + Frangula purshiana bark (30 mg / tab) + Phenolphthalein (100 mg / tab) + Sodium taurocholate (60 mg / tab)	Tablet	Oral	Alsi Cie Ltee	1978-12-31	1997-08-08
Bicholate Lilas Tab	Alloin (12 mg) + Frangula purshiana bark (30 mg) + Phenolphthalein (100 mg) + Sodium taurocholate (60 mg)	Tablet	Oral	Sabex Inc	1991-12-31	1997-10-10
Bilex Tab	Alloin (12 mg) + Frangula purshiana bark (30 mg) + Phenolphthalein (100 mg) + Sodium taurocholate (60 mg)	Tablet	Oral	Biodo Enrg	1978-12-31	1997-10-10
Carters Little Pills Tab	Alloin (8 mg / tab) + Phenolphthalein (16 mg / tab)	Tablet	Oral	Carter Products, Division Of Carter Wallace Ns Inc.	1978-12-31	1997-08-14
Lax-BO Tab	Alloin (12 mg / tab) + Frangula purshiana bark (30 mg / tab) + Phenolphthalein (100 mg / tab) + Sodium taurocholate (60 mg / tab)	Tablet	Oral	Cardinaux Medicinat Inc.	1992-12-31	1996-09-09
Laxatif Tab	Alloin (12 mg / tab) + Frangula purshiana bark (30 mg / tab) + Phenolphthalein (100 mg / tab) + Sodium taurocholate (60 mg / tab)	Tablet	Oral	Vitalab	1991-12-31	1997-12-18
Laxative Tab	Alloin (12 mg / tab) + Frangula purshiana bark (30 mg / tab) + Phenolphthalein (100 mg / tab) + Sodium taurocholate (60 mg / tab)	Tablet	Oral	Laboratoire Lalco Inc.	1978-12-31	1997-10-10
Laxavite Tab	Alloin (12 mg / tab) + Frangula purshiana bark (30 mg / tab) + Phenolphthalein (100 mg / tab) + Sodium taurocholate (60 mg / tab)	Tablet	Oral	Neosol Enrg	1978-12-31	1997-07-29
Robol Tab	Alloin (16.2 mg / tab) + Belladonna (5.4 mg / tab) + Ipecac (4.32 mg / tab) + Phenolphthalein (64.8 mg / tab)	Tablet	Oral	Labs Anglo French	1979-12-31	1997-08-05

Categories

Drug Categories

• Anthracenes
• Anthraquinones
• Biological Products
• Cascara
• Complex Mixtures
• Gastrointestinal Agents
• Laxatives
• Pharmaceutical Preparations
• Plant Extracts
• Plant Preparations
• Quinones

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

External Links

ChemSpider

8042387

BindingDB

50269016

RxNav

17354

ChEBI

73222

ChEMBL

CHEMBL497001

Wikipedia

Aloin

Clinical Trials

Clinical Trials

Phase	Status	Purpose	Conditions	Count

Pharmacoeconomics

Manufacturers

Not Available

Packagers

Not Available

Dosage Forms

Form	Route	Strength
Tablet	Oral

Prices

Not Available

Patents

Not Available

Properties

State

Not Available

Experimental Properties

Not Available

Predicted Properties

Property	Value	Source
Water Solubility	2.63 mg/mL	ALOGPS
logP	-0.49	ALOGPS
logP	0.41	ChemAxon
logS	-2.2	ALOGPS
pKa (Strongest Acidic)	8.31	ChemAxon
pKa (Strongest Basic)	-2.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	167.91 Å2	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	103.79 m3·mol-1	ChemAxon
Polarizability	40.97 Å3	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	1	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted ADMET Features

Not Available

Spectra

Mass Spec (NIST)

Not Available

Spectra

Not Available

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