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Sulfur dioxide

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
Sulfur dioxide
DrugBank Accession Number
DB16426
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 64.06
Monoisotopic: 63.961900414
Chemical Formula
O2S
Synonyms
  • Schwefeldioxyd
  • Siarki dwutlenek
  • Sulfurous oxide
  • Sulfuroxide
External IDs
  • FEMA NO. 3039
  • INS-220
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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.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
0UZA3422Q4
CAS number
7446-09-5
InChI Key
RAHZWNYVWXNFOC-UHFFFAOYSA-N
InChI
InChI=1S/O2S/c1-3-2
IUPAC Name
(oxo-lambda4-sulfanylidene)oxidane
SMILES
O=S=O

References

General References
Not Available
Human Metabolome Database
HMDB0034834
KEGG Compound
C09306
ChemSpider
1087
RxNav
1362879
ChEBI
18422
ChEMBL
CHEMBL1235997
PDBe Ligand
SO2
Wikipedia
Sulfur_dioxide
PDB Entries
1aof / 1d4x / 1ekk / 1nlv / 1nm1 / 1nmd / 1oms / 2dmr / 2fpe / 2fzm …
show 16 more

Clinical Trials

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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
logP0.32Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area34.14 Å2Chemaxon
Rotatable Bond Count0Chemaxon
Refractivity8.64 m3·mol-1Chemaxon
Polarizability4.25 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleYesChemaxon
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/MSsplash10-03di-9000000000-2c4a3db8921d94d7f526
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-9000000000-2c4a3db8921d94d7f526
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-9000000000-2c4a3db8921d94d7f526
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-112.1907
predicted
DeepCCS 1.0 (2019)
[M+H]+89.5820355
predicted
DarkChem Lite v0.1.0
[M+H]+89.5521355
predicted
DarkChem Lite v0.1.0
[M+H]+85.6578355
predicted
DarkChem Lite v0.1.0
[M+H]+113.97296
predicted
DeepCCS 1.0 (2019)
[M+Na]+91.1744355
predicted
DarkChem Lite v0.1.0
[M+Na]+91.1500355
predicted
DarkChem Lite v0.1.0
[M+Na]+91.1066355
predicted
DarkChem Lite v0.1.0
[M+Na]+121.11609
predicted
DeepCCS 1.0 (2019)

Drug created at January 13, 2021 19:19 / Updated at January 14, 2021 13:09