NAV

Mitobronitol

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

Identification

Generic Name
Mitobronitol
DrugBank Accession Number
DB13543
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 307.966
Monoisotopic: 305.910235
Chemical Formula
C6H12Br2O4
Synonyms
  • Mitobronitol
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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.
DrugInteraction
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interactions in your software
AmbroxolThe risk or severity of methemoglobinemia can be increased when Mitobronitol is combined with Ambroxol.
ArticaineThe risk or severity of methemoglobinemia can be increased when Mitobronitol is combined with Articaine.
BenzocaineThe risk or severity of methemoglobinemia can be increased when Mitobronitol is combined with Benzocaine.
Benzyl alcoholThe risk or severity of methemoglobinemia can be increased when Mitobronitol is combined with Benzyl alcohol.
BupivacaineThe risk or severity of methemoglobinemia can be increased when Mitobronitol is combined with Bupivacaine.
Food Interactions
Not Available

Categories

ATC Codes
L01AX01 — Mitobronitol
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as bromohydrins. These are alcohols substituted by a bromine atom at a saturated carbon atom otherwise bearing only hydrogen or hydrocarbyl groups.
Kingdom
Organic compounds
Super Class
Organohalogen compounds
Class
Halohydrins
Sub Class
Bromohydrins
Direct Parent
Bromohydrins
Alternative Parents
Secondary alcohols / Polyols / Organobromides / Hydrocarbon derivatives / Alkyl bromides
Substituents
Alcohol / Aliphatic acyclic compound / Alkyl bromide / Alkyl halide / Bromohydrin / Hydrocarbon derivative / Organic oxygen compound / Organobromide / Organooxygen compound / Polyol
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
organobromine compound, alcohol (CHEBI:34853)
Affected organisms
Not Available

Chemical Identifiers

UNII
5UP30YED7N
CAS number
488-41-5
InChI Key
VFKZTMPDYBFSTM-KVTDHHQDSA-N
InChI
InChI=1S/C6H12Br2O4/c7-1-3(9)5(11)6(12)4(10)2-8/h3-6,9-12H,1-2H2/t3-,4-,5-,6-/m1/s1
IUPAC Name
(2S,3S,4S,5S)-1,6-dibromohexane-2,3,4,5-tetrol
SMILES
[H][C@@](O)(CBr)[C@@]([H])(O)[C@]([H])(O)[C@]([H])(O)CBr

References

General References
Not Available
KEGG Compound
C13522
ChemSpider
571004
RxNav
6996
ChEBI
34853
ChEMBL
CHEMBL447629
ZINC
ZINC000002507451
Wikipedia
Mitobronitol

Clinical Trials

Clinical Trials
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 Solubility39.7 mg/mLALOGPS
logP-0.44ALOGPS
logP-0.65Chemaxon
logS-0.89ALOGPS
pKa (Strongest Acidic)12.63Chemaxon
pKa (Strongest Basic)-3.5Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area80.92 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity50.47 m3·mol-1Chemaxon
Polarizability21.05 Å3Chemaxon
Number of Rings0Chemaxon
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/MSsplash10-05g0-0193000000-fa6e02eb21c39102aeb6
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-2904000000-e78aec137c8a15f2aab4
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0gx0-0900000000-1c559875347416a7c522
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-9200000000-9e499dc1c20ed54710c1
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-05g0-0900000000-56b9e6c6e6ff93ea7034
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-9000000000-dc58018f0fd3589266b6
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]-139.82753
predicted
DeepCCS 1.0 (2019)
[M+H]+142.2231
predicted
DeepCCS 1.0 (2019)
[M+Na]+148.891
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:44 / Updated at February 21, 2021 18:54