Basic information
- CAS
53943-88-7- Standard SMILES
CCOC(=O)CSCCC1NC(C(=O)O)CS1- InChIKey
IKOCLISPVJZJEA-UHFFFAOYSA-N- Molecular formula
- C10H17NO4S2
- Average molar mass
- 279.4 g/mol
- Monoisotopic mass
- 279.05990037
Overview
Letosteine is a dicarboxylic acid monoester that is the monoethyl ester of 2-{2-[(carboxymethyl)sulfanyl]ethyl}-1,3-thiazolidine-4-carboxylic acid. A mucolytic used in the treatment of chronic bronchopneumopathies and related conditions. It has a role as a mucolytic. It is an aliphatic sulfide, a dicarboxylic acid monoester and a thiazolidinemonocarboxylic acid.
Names & identifiers
- Preferred name
- Letosteine
- IUPAC
- 2-[2-(2-ethoxy-2-oxoethyl)sulfanylethyl]-1,3-thiazolidine-4-carboxylic acid
- English name
- Letosteine
- Molecular formula
- C10H17NO4S2
- Molecular weight
- 279.38
Names & synonyms
Letosteine53943-88-7LetosteinaViscotiolLetosteinum2-{2-[(2-ethoxy-2-oxoethyl)sulfanyl]ethyl}-1,3-thiazolidine-4-carboxylic acid6MVF9U95DWCHEBI:88271DTXSID708663724-Thiazolidinecarboxylic acid, 2-[2-[(2-ethoxy-2-oxoethyl)thio]ethyl]-2-(2-((Carboxymethyl)thio)ethyl)-4-thiazolidinecarboxylic acid 2-ethyl ester4-Thiazolidinecarboxylic acid, 2-(2-((2-ethoxy-2-oxoethyl)thio)ethyl)-
Show more names
VisoctiolLetosteine, 10 mM in DMSO2-[2-[(2-Ethoxy-2-oxoethyl)thio]ethyl]-4-thiazolidinecarboxylic acid
2-(2-((2-ethoxy-2-oxoethyl)sulfanyl)ethyl)-1,3-thiazolidine-4-carboxylic acidRefChem:152956DTXCID20814661258-879-3Letosteine [INN]2-[2-(2-ethoxy-2-oxoethyl)sulfanylethyl]-1,3-thiazolidine-4-carboxylic acid2-(2-((2-Ethoxy-2-oxoethyl)thio)ethyl)thiazolidine-4-carboxylic acidLetosteine (INN)
Database identifiers
- CAS
53943-88-7- PubChem CID
- 68707
- DTXSID
DTXSID70866372- ChEMBL
CHEMBL2105044- ChEBI
CHEBI:88271- UNII
- 6MVF9U95DW
- EC Number
- 258-879-3
- Nikkaji
- J10.818I
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 275
Physicochemical properties
- Melting point
- 142 ° · 142°
- Boiling point
- 470 · 470.0±45.0 °C(Predicted)
- Density
- 1.284 · 1.284±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- Dichloromethane (Slightly), DMSO (Slightly)
- form
- Solid
- pka
- 2.05 · 2.05±0.40(Predicted)
- color
- White to Pale Yellow
- 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)
- InChIKey
- IKOCLISPVJZJEA-UHFFFAOYSA-N
- SMILES
- S1C(NC(C1)C(=O)O)CCSCC(=O)OCC
- CAS DataBase Reference
- 53943 · 53943-88-7
- FDA UNII
- 6 MVF9U95DW · 6MVF9U95DW
- ATC code
- 5 CB09 · R05CB09
- UNSPSC Code
- 12352106 · 12352106
- NACRES
- 21 · NA.21
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Pharmacology
ATC Code
R - Respiratory system
QR - Respiratory system
MeSH Pharmacological ClassificationAgents that increase mucous excretion. Mucolytic agents, that is drugs that liquefy mucous secretions, are also included here.
Applications
UsesLetostan is a cyclic cysteine derivative with mucolytic properties, clinically used to treat obstructive bronchopulmonary diseases, including chronic bronchitis, emphysema, and asthma.
Upstream & downstream products
Upstream raw materials
Suppliers27 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Aladdin Scientific[email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
太原市瑞和丰科贸有限公司+86 351 7031519 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海丽康新材料有限公司+86-16631818819 +86-17736933208 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
湖北威德利化学科技有限公司027-83989310 18627915365 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
湖北威德利化学试剂有限公司17771478861 13419635609 · [email protected]
武汉魔力生物科技有限公司18872289958、027-52304252、3400508168 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466105 15377573527 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
湖北康鑫源顺医药化工有限公司027-51831887 15337167856 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
重庆卡兰医药有限公司[email protected]
湖北鸿运隆生物科技有限公司13554337556 13554337556 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
美特（湖北）新材料有限责任公司13517221830; 13517221830 · [email protected]
Additional notes
DefinitionChEBI: A dicarboxylic acid monoester that is the monoethyl ester of 2-{2-[(carboxymethyl)sulfanyl]ethyl}-1,3-thiazolidine-4-carboxylic acid. A mucolytic used in the treatment of chronic bronchopneumopathies and related conditions.
Related reactions
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Compound notes
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