NAV

Lactobionic acid

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

Identification

Summary

Lactobionic acid is a component of a solution indicated in the preservation of organs from extraction to transplant.

Generic Name
Lactobionic acid
DrugBank Accession Number
DB16621
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 358.296
Monoisotopic: 358.111126148
Chemical Formula
C12H22O12
Synonyms
  • Lactobionate
External IDs
  • 202-538-3
  • EINECS 202-538-3
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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

Products

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Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
Celsior OrgankonservierungslösungLactobionic acid (28.664 g/L) + Calcium chloride (0.037 g/L) + Glutamic acid (2.942 g/L) + Glutathione (0.921 g/L) + Histidine (4.65 g/L) + Magnesium chloride hexahydrate (2.642 g/L) + Mannitol (10.93 g/L) + Potassium chloride (1.118 g/L) + Sodium hydroxide (4 g/L)SolutionExtracorporealInstitut Georges Lopez (Igl)2012-02-09Not applicableAustria flag

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
65R938S4DV
CAS number
96-82-2
InChI Key
JYTUSYBCFIZPBE-AMTLMPIISA-N
InChI
InChI=1S/C12H22O12/c13-1-3(15)10(7(18)8(19)11(21)22)24-12-9(20)6(17)5(16)4(2-14)23-12/h3-10,12-20H,1-2H2,(H,21,22)/t3-,4-,5+,6+,7-,8-,9-,10-,12+/m1/s1
IUPAC Name
(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexanoic acid
SMILES
OC[C@@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)C(O)=O

References

General References
  1. BASG: Celsior Organkonservierungslösung (Calcium Chloride, Glutamic Acid, Glutathione, Histidine, Lactobionic Acid, Magnesium Chloride, Mannitol, Potassium Chloride, Sodium Hydroxide) Extracorporeal Solution [Link]
ChemSpider
7040
RxNav
1426413
ChEBI
55481
ChEMBL
CHEMBL3039602
ZINC
ZINC000004215172
Wikipedia
Lactobionic_acid

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
1CompletedBasic ScienceType 1 Diabetes Mellitus1

Pharmacoeconomics

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

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
logP-5.2Chemaxon
pKa (Strongest Acidic)3.26Chemaxon
pKa (Strongest Basic)-3.5Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count12Chemaxon
Hydrogen Donor Count9Chemaxon
Polar Surface Area217.6 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity70.68 m3·mol-1Chemaxon
Polarizability31.75 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/MSsplash10-052f-0559000000-f9bf9a814d8e081cbca2
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0ap0-4649000000-b9ba90b8c93d9fff905b
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03kl-6902000000-a6247412d35c51065a77
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-06vi-9662000000-7829ea740da37a599cd4
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-052s-9640000000-5a12ad0f1df35738fbad
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4u-9300000000-111ce03bf595e5759df2
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]-175.7249841
predicted
DarkChem Lite v0.1.0
[M-H]-171.85931
predicted
DeepCCS 1.0 (2019)
[M+H]+175.1177841
predicted
DarkChem Lite v0.1.0
[M+H]+173.58304
predicted
DeepCCS 1.0 (2019)
[M+Na]+175.0803841
predicted
DarkChem Lite v0.1.0
[M+Na]+179.88338
predicted
DeepCCS 1.0 (2019)

Drug created at February 24, 2021 21:24 / Updated at April 30, 2021 13:08