NAV

Maltitol

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

Identification

Generic Name
Maltitol
DrugBank Accession Number
DB16867
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 344.313
Monoisotopic: 344.131861593
Chemical Formula
C12H24O11
Synonyms
  • Maltitol
External IDs
  • E-965
  • HSDB 7971
  • INS-965
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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.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
D65DG142WK
CAS number
585-88-6
InChI Key
VQHSOMBJVWLPSR-WUJBLJFYSA-N
InChI
InChI=1S/C12H24O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4-21H,1-3H2/t4-,5+,6+,7+,8+,9-,10+,11+,12+/m0/s1
IUPAC Name
(2S,3R,4R,5R)-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexane-1,2,3,5,6-pentol
SMILES
[H][C@@](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)([C@H](O)CO)[C@H](O)[C@@H](O)CO

References

General References
Not Available
Human Metabolome Database
HMDB0002928
ChemSpider
432001
RxNav
1363049
ChEBI
68428
ChEMBL
CHEMBL63558
ZINC
ZINC000004262249
Wikipedia
Maltitol

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
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility377.0 mg/mLALOGPS
logP-3.2ALOGPS
logP-5.5Chemaxon
logS0.04ALOGPS
pKa (Strongest Acidic)12.1Chemaxon
pKa (Strongest Basic)-3Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count11Chemaxon
Hydrogen Donor Count9Chemaxon
Polar Surface Area200.53 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity70.82 m3·mol-1Chemaxon
Polarizability31.63 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
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/MSsplash10-0ar0-0309000000-e0a0352f9a3e80c162ea
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-02mj-4901000000-21f7568583189511add3
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-1439000000-f136756be432eec1aec3
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0bu1-9610000000-fbe347effaec6b3f67d5
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-06r6-9450000000-488f45b60bd946fdab52
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-052f-9000000000-e8d09ca8eecca2e12dbb
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]-180.1812634
predicted
DarkChem Lite v0.1.0
[M-H]-167.2235634
predicted
DarkChem Lite v0.1.0
[M-H]-172.92741
predicted
DeepCCS 1.0 (2019)
[M+H]+181.4876634
predicted
DarkChem Lite v0.1.0
[M+H]+167.7056634
predicted
DarkChem Lite v0.1.0
[M+H]+175.20705
predicted
DeepCCS 1.0 (2019)
[M+Na]+180.9358634
predicted
DarkChem Lite v0.1.0
[M+Na]+167.1865634
predicted
DarkChem Lite v0.1.0
[M+Na]+181.11958
predicted
DeepCCS 1.0 (2019)

Drug created at July 26, 2022 18:14 / Updated at December 01, 2022 11:31