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

Identification

Summary

Saccharin is a non-nutritive artificial sweetener for sweetening foods and drinks.

Generic Name
Saccharin
DrugBank Accession Number
DB12418
Background

Saccharin has been investigated for the treatment of Hypertension and Hyperglycemia.

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 183.185
Monoisotopic: 182.999013721
Chemical Formula
C7H5NO3S
Synonyms
  • Saccharin
External IDs
  • E-954(I)
  • INS NO.954(I)
  • INS-954(I)

Pharmacology

Indication

Not Available

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Associated Therapies
Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug events
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Pharmacodynamics

Not Available

Mechanism of action
TargetActionsOrganism
UCarbonic anhydrase 3
inhibitor
Humans
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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Product Ingredients
IngredientUNIICASInChI Key
Saccharin calcium5101OP7P2I6381-91-5NNOYLBKZPCUCQT-UHFFFAOYSA-L
Saccharin potassiumK2BEG3J28N10332-51-1HEKURBKACCBNEJ-UHFFFAOYSA-M
Saccharin sodiumSB8ZUX40TY6155-57-3AYGJDUHQRFKLBG-UHFFFAOYSA-M
Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
ENO FRUIT SALT (LEMON FLAVOURED)(AUSTRALIA)Saccharin sodium (0.003 g) + Citric acid (1.85 g) + Sodium bicarbonate (1.96 g) + Sodium carbonate (0.43 g)Powder, for solutionOralSTERLING DRUG (MALAYA) SDN. BHD.2020-09-08Not applicableMalaysia flag
FORTRANSSaccharin sodium (0.1 g/73.69g) + Polyethylene glycol (64 g/73.69g) + Potassium chloride (0.75 g/73.69g) + Sodium bicarbonate (1.68 g/73.69g) + Sodium chloride (1.46 g/73.69g) + Sodium sulfate (5.7 g/73.69g)Powder, for solutionOralEP PLUS GROUP SDN. BHD.2020-09-08Not applicableMalaysia flag

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Benzothiazoles
Sub Class
Not Available
Direct Parent
Benzothiazoles
Alternative Parents
Benzenoids / Organosulfonic acids and derivatives / Carboxylic acids and derivatives / Azacyclic compounds / Organopnictogen compounds / Organooxygen compounds / Organonitrogen compounds / Organic oxides / Hydrocarbon derivatives
Substituents
1,2-benzothiazole / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Carboxylic acid derivative / Hydrocarbon derivative / Organic nitrogen compound / Organic oxide / Organic oxygen compound / Organic sulfonic acid or derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
sulfone, lactam, 1,2-benzisothiazole (CHEBI:32111)
Affected organisms
Not Available

Chemical Identifiers

UNII
FST467XS7D
CAS number
81-07-2
InChI Key
CVHZOJJKTDOEJC-UHFFFAOYSA-N
InChI
InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)
IUPAC Name
2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione
SMILES
O=C1NS(=O)(=O)C2=C1C=CC=C2

References

General References
  1. Dulcaryl (saccharin) effervescent tablets (User Guide) [Link]
Human Metabolome Database
HMDB0029723
KEGG Compound
C12283
PubChem Compound
5143
PubChem Substance
347828662
ChemSpider
4959
BindingDB
29278
RxNav
9509
ChEBI
32111
ChEMBL
CHEMBL310671
ZINC
ZINC000002560357
PDBe Ligand
LSA
Wikipedia
Saccharin
PDB Entries
2q1b / 2q38 / 3srk / 4n1o / 4riv / 5rsp / 6fjj / 7wjv

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedTreatmentPostoperative; Dysfunction Following Cardiac Surgery2
Not AvailableNot Yet RecruitingNot AvailableEustachian Tube Dysfunction (ETD)1
Not AvailableWithdrawnTreatmentHigh Blood Pressure (Hypertension) / Hyperglycemia1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Tablet
Powder, for solutionOral
Powder, for solutionOral10 G
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility6.51 mg/mLALOGPS
logP0.09ALOGPS
logP0.45ChemAxon
logS-1.4ALOGPS
pKa (Strongest Acidic)1.94ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area63.24 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity42.39 m3·mol-1ChemAxon
Polarizability16.02 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
GC-MS Spectrum - GC-MS (1 TMS)GC-MSsplash10-006x-5940000000-c3d4fc7537245087aa01
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
GC-MS Spectrum - EI-BGC-MSsplash10-0fiv-9200000000-3cbd853d90d67ac630ab
GC-MS Spectrum - GC-MSGC-MSsplash10-006x-5940000000-c3d4fc7537245087aa01
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-0006-2940000000-42addba0b789ed51670d
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
LC-MS/MS Spectrum - LC-ESI-ITFT , negativeLC-MS/MSsplash10-001i-0900000000-4b6ed2bc790c007ba1d2
LC-MS/MS Spectrum - LC-ESI-ITFT , negativeLC-MS/MSsplash10-001i-0900000000-1548a4ac4e5c19442679
LC-MS/MS Spectrum - LC-ESI-ITFT , negativeLC-MS/MSsplash10-001i-0900000000-34f1a9ce4b083851e69f
LC-MS/MS Spectrum - LC-ESI-ITFT , negativeLC-MS/MSsplash10-001i-0900000000-20951911ba1a4f08d891
LC-MS/MS Spectrum - LC-ESI-ITFT , negativeLC-MS/MSsplash10-001i-0900000000-668e33ca497d39237e85
LC-MS/MS Spectrum - LC-ESI-ITFT , negativeLC-MS/MSsplash10-001i-0900000000-fdb874ff651646e63cab
LC-MS/MS Spectrum - LC-ESI-ITFT , negativeLC-MS/MSsplash10-001i-0900000000-65c93c049826341beddd
LC-MS/MS Spectrum - LC-ESI-ITFT , negativeLC-MS/MSsplash10-001i-0900000000-1548a4ac4e5c19442679
LC-MS/MS Spectrum - LC-ESI-ITFT , negativeLC-MS/MSsplash10-001i-0900000000-1548a4ac4e5c19442679
LC-MS/MS Spectrum - LC-ESI-ITFT , negativeLC-MS/MSsplash10-001i-0900000000-54eafaf51ea31a4d23c6
LC-MS/MS Spectrum - LC-ESI-ITFT , negativeLC-MS/MSsplash10-001i-0900000000-d248f91c063ab27c21d0
LC-MS/MS Spectrum - LC-ESI-ITFT , negativeLC-MS/MSsplash10-001i-0900000000-c92646389218a59f37b9
LC-MS/MS Spectrum - LC-ESI-ITFT , negativeLC-MS/MSsplash10-001i-1900000000-b50ceac4dba57f7be6c7
LC-MS/MS Spectrum - LC-ESI-ITFT , negativeLC-MS/MSsplash10-001i-0900000000-73352f91026a3f00a604
LC-MS/MS Spectrum - LC-ESI-IT , negativeLC-MS/MSsplash10-001i-0900000000-c9c9334260025c49503c
LC-MS/MS Spectrum - LC-ESI-QFT , negativeLC-MS/MSsplash10-001i-0900000000-1548a4ac4e5c19442679

Targets

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Kind
Protein
Organism
Humans
Pharmacological action
Unknown
Actions
Inhibitor
General Function
Zinc ion binding
Specific Function
Reversible hydration of carbon dioxide.
Gene Name
CA3
Uniprot ID
P07451
Uniprot Name
Carbonic anhydrase 3
Molecular Weight
29557.215 Da
References
  1. Nishimori I, Minakuchi T, Onishi S, Vullo D, Cecchi A, Scozzafava A, Supuran CT: Carbonic anhydrase inhibitors: cloning, characterization, and inhibition studies of the cytosolic isozyme III with sulfonamides. Bioorg Med Chem. 2007 Dec 1;15(23):7229-36. Epub 2007 Aug 25. [Article]

Drug created at October 20, 2016 22:18 / Updated at May 27, 2021 02:57