Letosteine
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Identification
- Generic Name
- Letosteine
- DrugBank Accession Number
- DB08939
- Background
Letosteine is a mucolytic used in the treatment of chronic bronchopneumopathies and related conditions.
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 279.376
Monoisotopic: 279.059899417 - Chemical Formula
- C10H17NO4S2
- Synonyms
- letosteina
- Letosteine
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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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
Products
- Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
Categories
- ATC Codes
- R05CB09 — Letosteine
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Carboxylic acids and derivatives
- Sub Class
- Amino acids, peptides, and analogues
- Direct Parent
- Alpha amino acids and derivatives
- Alternative Parents
- Dicarboxylic acids and derivatives / Thiazolidines / Carboxylic acid esters / Amino acids / Thiohemiaminal derivatives / Sulfenyl compounds / Dialkylthioethers / Dialkylamines / Carboxylic acids / Azacyclic compounds show 4 more
- Substituents
- Aliphatic heteromonocyclic compound / Alpha-amino acid or derivatives / Amine / Amino acid / Azacycle / Carbonyl group / Carboxylic acid / Carboxylic acid ester / Dialkylthioether / Dicarboxylic acid or derivatives show 15 more
- Molecular Framework
- Aliphatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 6MVF9U95DW
- CAS number
- 53943-88-7
- InChI Key
- IKOCLISPVJZJEA-UHFFFAOYSA-N
- InChI
- InChI=1S/C10H17NO4S2/c1-2-15-9(12)6-16-4-3-8-11-7(5-17-8)10(13)14/h7-8,11H,2-6H2,1H3,(H,13,14)
- IUPAC Name
- 2-{2-[(2-ethoxy-2-oxoethyl)sulfanyl]ethyl}-1,3-thiazolidine-4-carboxylic acid
- SMILES
- CCOC(=O)CSCCC1NC(CS1)C(O)=O
References
- General References
- Liu X, Zheng H, Tang W, Qian Z, Zhu Y, Wang J, Yuan S, Wen X, Cao C, Chen H: Development of a novel LC-MS/MS method for the determination of letosteine in human plasma and its application on pharmacokinetic studies. J Chromatogr B Analyt Technol Biomed Life Sci. 2011 Sep 1;879(25):2554-60. doi: 10.1016/j.jchromb.2011.07.011. Epub 2011 Jul 18. [Article]
- External Links
- PubChem Compound
- 68707
- PubChem Substance
- 310264906
- ChemSpider
- 61958
- 28554
- ChEBI
- 88271
- ChEMBL
- CHEMBL2105044
- Wikipedia
- Letosteine
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Capsule Granule Tablet - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 3.55 mg/mL ALOGPS logP -0.39 ALOGPS logP -1.5 Chemaxon logS -1.9 ALOGPS pKa (Strongest Acidic) 2.74 Chemaxon pKa (Strongest Basic) 7.41 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 75.63 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 67.83 m3·mol-1 Chemaxon Polarizability 29.23 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-002f-9320000000-26f7725c41542c0f2b78 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-001i-0290000000-6ed900807792edf5d896 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4i-0920000000-87c5986b9dc5bdca608c Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-01qi-5930000000-b00c9096d3c810bf6dac Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0aor-8900000000-f2a46b90171b656c6041 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-06s6-9700000000-8ebc991a5dc365556e26 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-03du-6900000000-cbbe0c9332dffd28bccf Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 152.6342 predictedDeepCCS 1.0 (2019) [M+H]+ 156.61914 predictedDeepCCS 1.0 (2019) [M+Na]+ 165.60893 predictedDeepCCS 1.0 (2019)
Drug created at May 26, 2014 20:58 / Updated at February 21, 2021 18:52