NAV

Sucralose

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

Identification

Generic Name
Sucralose
DrugBank Accession Number
DB15049
Background

Sucralose is an artificial sweetener used as a sugar substitute.

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 397.63
Monoisotopic: 396.0145507
Chemical Formula
C12H19Cl3O8
Synonyms
  • Sucralose
  • Trichlorosucrose
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Pharmacology

Indication

Not Available

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Associated Conditions
Indication TypeIndicationCombined Product DetailsApproval LevelAge GroupPatient CharacteristicsDose Form
Adjunct therapy in maintenance ofHealthy normal weight••• ••••••••••• ••••••
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

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International/Other Brands
Splenda

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
96K6UQ3ZD4
CAS number
56038-13-2
InChI Key
BAQAVOSOZGMPRM-QBMZZYIRSA-N
InChI
InChI=1S/C12H19Cl3O8/c13-1-4-7(17)10(20)12(3-14,22-4)23-11-9(19)8(18)6(15)5(2-16)21-11/h4-11,16-20H,1-3H2/t4-,5-,6+,7-,8+,9-,10+,11-,12+/m1/s1
IUPAC Name
(2R,3R,4R,5R,6R)-2-{[(2R,3S,4S,5S)-2,5-bis(chloromethyl)-3,4-dihydroxyoxolan-2-yl]oxy}-5-chloro-6-(hydroxymethyl)oxane-3,4-diol
SMILES
OC[C@H]1O[C@H](O[C@]2(CCl)O[C@H](CCl)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1Cl

References

General References
Not Available
KEGG Compound
C12285
ChemSpider
64561
RxNav
1439115
ChEBI
32159
ChEMBL
CHEMBL3185084
ZINC
ZINC000004654665
Wikipedia
Sucralose
PDB Entries
4rzt / 6cjv

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
4CompletedTreatmentEosinophilic Esophagitis1
3CompletedTreatmentType 2 Diabetes Mellitus1
1CompletedNot AvailableHuman Immunodeficiency Virus (HIV) Infections1
1Not Yet RecruitingTreatmentClostridioides Difficile Infection / Inflammatory Bowel Diseases (IBD)1
Not AvailableRecruitingScreeningAlcohol Dependency1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Granule11 mg
Tablet6.05 mg
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility12.9 mg/mLALOGPS
logP-0.39ALOGPS
logP-0.47Chemaxon
logS-1.5ALOGPS
pKa (Strongest Acidic)11.91Chemaxon
pKa (Strongest Basic)-3Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count8Chemaxon
Hydrogen Donor Count5Chemaxon
Polar Surface Area128.84 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity77.93 m3·mol-1Chemaxon
Polarizability34.83 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
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-004j-0009000000-c23d82e4a948643f5f2e
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-0937000000-b0228a71902cdd870ec0
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0kdj-0609000000-ed53b58ca7e5e2c23754
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-01qa-3549000000-c97ec2c122470558cbc3
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0f89-1932000000-77aadd7b573f03e09d1c
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0089-9482000000-2ab67ca188b16eb46630
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-163.6097408
predicted
DarkChem Lite v0.1.0
[M-H]-163.54744
predicted
DeepCCS 1.0 (2019)
[M+H]+163.4414086
predicted
DarkChem Lite v0.1.0
[M+H]+165.37233
predicted
DeepCCS 1.0 (2019)
[M+Na]+175.2798396
predicted
DarkChem Lite v0.1.0
[M+Na]+171.12776
predicted
DeepCCS 1.0 (2019)

Drug created at May 20, 2019 14:45 / Updated at September 03, 2020 20:54