Mannitol busulfan

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

Identification

Generic Name
Mannitol busulfan
DrugBank Accession Number
DB12097
Background

Mm has been used in trials studying the treatment of Cocaine Dependence and Diabetes Mellitus, Type 2.

Type
Small Molecule
Groups
Approved, Investigational
Structure
Weight
Average: 338.34
Monoisotopic: 338.034139128
Chemical Formula
C8H18O10S2
Synonyms
Not Available
External IDs
  • CB-2511
  • NSC-37538

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
AcebutololThe risk or severity of hyperkalemia can be increased when Acebutolol is combined with Mannitol busulfan.
AceclofenacThe risk or severity of hyperkalemia can be increased when Aceclofenac is combined with Mannitol busulfan.
AcemetacinThe risk or severity of hyperkalemia can be increased when Mannitol busulfan is combined with Acemetacin.
Acetylsalicylic acidThe risk or severity of hyperkalemia can be increased when Acetylsalicylic acid is combined with Mannitol busulfan.
AlclofenacThe risk or severity of hyperkalemia can be increased when Mannitol busulfan is combined with Alclofenac.
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as organosulfonic acid esters. These are esters of sulfonic acid, which have the general structure RS(=O)2OR' (R,R' = organyl, not H).
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Organic sulfonic acids and derivatives
Sub Class
Organosulfonic acids and derivatives
Direct Parent
Organosulfonic acid esters
Alternative Parents
Sulfonic acid esters / Monosaccharides / Sulfonyls / Methanesulfonates / Secondary alcohols / Polyols / Organic oxides / Hydrocarbon derivatives
Substituents
Alcohol / Aliphatic acyclic compound / Hydrocarbon derivative / Methanesulfonate / Monosaccharide / Organic oxide / Organic oxygen compound / Organooxygen compound / Organosulfonic acid ester / Organosulfur compound
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
6STO1P091F
CAS number
1187-00-4
InChI Key
ODOISJJCWUVNDJ-WCTZXXKLSA-N
InChI
InChI=1S/C8H18O10S2/c1-19(13,14)17-3-5(9)7(11)8(12)6(10)4-18-20(2,15)16/h5-12H,3-4H2,1-2H3/t5-,6-,7-,8-/m1/s1
IUPAC Name
(2R,3R,4R,5R)-2,3,4,5-tetrahydroxy-6-(methanesulfonyloxy)hexyl methanesulfonate
SMILES
CS(=O)(=O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)COS(C)(=O)=O

References

General References
Not Available
PubChem Compound
142775
PubChem Substance
347828401
ChemSpider
125962
ZINC
ZINC000008214535

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 Solubility18.7 mg/mLALOGPS
logP-1.6ALOGPS
logP-3.9Chemaxon
logS-1.3ALOGPS
pKa (Strongest Acidic)12.56Chemaxon
pKa (Strongest Basic)-3.6Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count8Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area167.66 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity63.91 m3·mol-1Chemaxon
Polarizability30.22 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 GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-00rj-2911000000-79fd5ffd832038c95ec0
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0079-1569000000-a34fece83835b3f81f1d
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-002r-8009000000-e6a184e1e23def70e66d
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9400000000-258e2e983c86befc44cc
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-004l-6900000000-176112fba15cc44d43e1
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-004l-9100000000-9b297342ad3080521a49
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-01ot-9330000000-6cd2fc641fce49574507
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]-183.7324661
predicted
DarkChem Lite v0.1.0
[M-H]-166.80446
predicted
DeepCCS 1.0 (2019)
[M+H]+183.8364661
predicted
DarkChem Lite v0.1.0
[M+H]+169.20001
predicted
DeepCCS 1.0 (2019)
[M+Na]+183.5764661
predicted
DarkChem Lite v0.1.0
[M+Na]+175.13188
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 21:20 / Updated at June 12, 2020 16:53