NAV

Mannosulfan

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

Identification

Generic Name
Mannosulfan
DrugBank Accession Number
DB13334
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 494.51
Monoisotopic: 493.989240084
Chemical Formula
C10H22O14S4
Synonyms
  • Mannosulfan
External IDs
  • R-52
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Pharmacology

Indication

Not Available

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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 Mannosulfan is combined with Ambroxol.
ArticaineThe risk or severity of methemoglobinemia can be increased when Mannosulfan is combined with Articaine.
BenzocaineThe risk or severity of methemoglobinemia can be increased when Mannosulfan is combined with Benzocaine.
Benzyl alcoholThe risk or severity of methemoglobinemia can be increased when Mannosulfan is combined with Benzyl alcohol.
BupivacaineThe risk or severity of methemoglobinemia can be increased when Mannosulfan is combined with Bupivacaine.
Food Interactions
Not Available

Categories

ATC Codes
L01AB03 — Mannosulfan
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 / 1,2-diols / Organic oxides / Hydrocarbon derivatives
Substituents
1,2-diol / Alcohol / Aliphatic acyclic compound / Hydrocarbon derivative / Methanesulfonate / Monosaccharide / Organic oxide / Organic oxygen compound / Organooxygen compound / Organosulfonic acid ester
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
135FQ40L36
CAS number
7518-35-6
InChI Key
UUVIQYKKKBJYJT-ZYUZMQFOSA-N
InChI
InChI=1S/C10H22O14S4/c1-25(13,14)21-5-7(23-27(3,17)18)9(11)10(12)8(24-28(4,19)20)6-22-26(2,15)16/h7-12H,5-6H2,1-4H3/t7-,8-,9-,10-/m1/s1
IUPAC Name
(2R,3S,4S,5R)-3,4-dihydroxy-1,5,6-tris(methanesulfonyloxy)hexan-2-yl methanesulfonate
SMILES
CS(=O)(=O)OC[C@@H](OS(C)(=O)=O)[C@@H](O)[C@H](O)[C@@H](COS(C)(=O)=O)OS(C)(=O)=O

References

General References
Not Available
ChemSpider
16736959
ChEBI
136005
ChEMBL
CHEMBL460282
ZINC
ZINC000044361935
Wikipedia
Mannosulfan

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 Solubility3.62 mg/mLALOGPS
logP-1.6ALOGPS
logP-4Chemaxon
logS-2.1ALOGPS
pKa (Strongest Acidic)12.7Chemaxon
pKa (Strongest Basic)-3.7Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count10Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area213.94 Å2Chemaxon
Rotatable Bond Count13Chemaxon
Refractivity89.41 m3·mol-1Chemaxon
Polarizability42.7 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability0Chemaxon
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-MSsplash10-00kb-1091200000-f2340db6bb28faacd1e9
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-002f-0000900000-c5f2c7ee4d68b71a9701
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9000700000-5d7d6252b45885173029
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00xr-0009000000-0c2c6dc2bf46562e8ccf
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9000000000-898fb1d954cec283f184
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-6209000000-dd2e4c1837b67d5af513
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-002g-9000000000-270a2ed93f8c5f504b81
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]-188.30096
predicted
DeepCCS 1.0 (2019)
[M+H]+190.69652
predicted
DeepCCS 1.0 (2019)
[M+Na]+196.60905
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:40 / Updated at February 21, 2021 18:54