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Dibekacin

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

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Identification

Generic Name
Dibekacin
DrugBank Accession Number
DB13270
Background

Dibekacin is an aminoglycoside antibiotic marketed in Japan 1.

Type
Small Molecule
Groups
Approved
Structure
3D
Similar Structures
Weight
Average: 451.521
Monoisotopic: 451.264213171
Chemical Formula
C18H37N5O8
Synonyms
  • Dibekacin
  • Dibekacina
  • Dibekacine
  • Dibekacinum
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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
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.
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AmbroxolThe risk or severity of methemoglobinemia can be increased when Dibekacin is combined with Ambroxol.
ArticaineThe risk or severity of methemoglobinemia can be increased when Dibekacin is combined with Articaine.
BenzocaineThe risk or severity of methemoglobinemia can be increased when Dibekacin is combined with Benzocaine.
Benzyl alcoholThe risk or severity of methemoglobinemia can be increased when Dibekacin is combined with Benzyl alcohol.
BupivacaineThe risk or severity of methemoglobinemia can be increased when Dibekacin is combined with Bupivacaine.
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Dibekacin sulfateA0869I992Z58580-55-5GXKUKBCVZHBTJW-USXQJGOZSA-N

Categories

ATC Codes
S01AA29 — DibekacinJ01GB09 — Dibekacin
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as 4,6-disubstituted 2-deoxystreptamines. These are 2-deoxystreptamine aminoglycosides that a glycosidically linked to a pyranose of furanose unit at the C4- and C6-positions.
Kingdom
Organic compounds
Super Class
Organic oxygen compounds
Class
Organooxygen compounds
Sub Class
Carbohydrates and carbohydrate conjugates
Direct Parent
4,6-disubstituted 2-deoxystreptamines
Alternative Parents
O-glycosyl compounds / Aminocyclitols and derivatives / Cyclohexylamines / Cyclohexanols / Oxanes / Monosaccharides / 1,2-aminoalcohols / Oxacyclic compounds / Acetals / Primary alcohols
show 3 more
Substituents
1,2-aminoalcohol / 4,6-disubstituted 2-deoxystreptamine / Acetal / Alcohol / Aliphatic heteromonocyclic compound / Amine / Aminocyclitol or derivatives / Cyclic alcohol / Cyclitol or derivatives / Cyclohexanol
show 15 more
Molecular Framework
Aliphatic heteromonocyclic compounds
External Descriptors
kanamycins (CHEBI:37945)
Affected organisms
Not Available

Chemical Identifiers

UNII
45ZFO9E525
CAS number
34493-98-6
InChI Key
JJCQSGDBDPYCEO-XVZSLQNASA-N
InChI
InChI=1S/C18H37N5O8/c19-4-6-1-2-7(20)17(28-6)30-15-8(21)3-9(22)16(14(15)27)31-18-13(26)11(23)12(25)10(5-24)29-18/h6-18,24-27H,1-5,19-23H2/t6-,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+/m0/s1
IUPAC Name
(2S,3R,4S,5S,6R)-4-amino-2-{[(1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl]oxy}-6-(hydroxymethyl)oxane-3,5-diol
SMILES
NC[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)O1

References

General References
  1. Institute of Microbial Chemistry - Japan - History [Link]
KEGG Drug
D07811
ChemSpider
413666
RxNav
3328
ChEBI
37945
ChEMBL
CHEMBL560976
ZINC
ZINC000008214383
PDBe Ligand
84D
Wikipedia
Dibekacin
PDB Entries
6cav / 8ifb / 8ifd

Clinical Trials

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Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Injection50 mg/mL
Solution / dropsOphthalmic3 mg/ml
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility33.9 mg/mLALOGPS
logP-2.6ALOGPS
logP-5.3Chemaxon
logS-1.1ALOGPS
pKa (Strongest Acidic)12.54Chemaxon
pKa (Strongest Basic)9.84Chemaxon
Physiological Charge5Chemaxon
Hydrogen Acceptor Count13Chemaxon
Hydrogen Donor Count9Chemaxon
Polar Surface Area247.94 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity105.38 m3·mol-1Chemaxon
Polarizability46.15 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
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/MSsplash10-0fb9-0900800000-fc0775c7da0f4f81d607
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0ufs-0900600000-1743314b775bfc16aff6
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0229-0894500000-316368ef461eae3615db
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0ugi-1935800000-933dccbed32cfa590279
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0gw1-6937200000-0f57c57d5ffb2bdcd49e
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-2395300000-dabd58ea939f036b5270
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]-209.6950578
predicted
DarkChem Lite v0.1.0
[M-H]-197.77563
predicted
DeepCCS 1.0 (2019)
[M+H]+210.7334578
predicted
DarkChem Lite v0.1.0
[M+H]+199.49934
predicted
DeepCCS 1.0 (2019)
[M+Na]+209.5838578
predicted
DarkChem Lite v0.1.0
[M+Na]+205.82832
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:38 / Updated at February 21, 2021 18:54