Basic information
- CAS
119637-67-1- Standard SMILES
CCOC(=O)CC(=O)N1CCSC1COc1ccccc1OC- InChIKey
WSYVIAQNTFPTBI-UHFFFAOYSA-N- Molecular formula
- C16H21NO5S
- Average molar mass
- 339.4 g/mol
- Monoisotopic mass
- 339.11404394
Names & identifiers
- Preferred name
- Moguisteine
- IUPAC
- ethyl 3-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-3-oxopropanoate
- English name
- Moguisteine
- Molecular formula
- C16H21NO5S
- Molecular weight
- 339.41
Names & synonyms
Moguisteine119637-67-1BBR-2173MoguisteinaMoguisteinumNSC-759829BBR2173DTXSID008696346Y556547YY3-Thiazolidinepropanoic acid, 2-((2-methoxyphenoxy)methyl)-beta-oxo-, ethyl ester, (+-)-2-(2-methoxyphenoxy)methyl-3-ethoxycarbonylacetyl-1,3-thiazolidineRefChem:159320
Show more names
MOGUISTEINE(FORR&DONLY)Moguisteine, 10 mM in DMSO2-(2-METHOXYPHENOXY)METHYL-1,3-THIAZOLIDINE(+/-)-2-(2-methoxyphenoxy)-methyl-3-ethoxycarbonylacetyl-1,3-thiazolidine(r,s)-2-(2-methoxyphenoxy)-methyl-3-ethoxycarbonyl-acetyl-1,3 thiazolidineethyl 3-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-3-oxo-propanoate
ethyl 2-((2-methoxyphenoxy)methyl)-beta-oxothiazolidine-3-propanoateDTXCID60817590Moguisteine [INN]ethyl 3-(2-((2-methoxyphenoxy)methyl)thiazolidin-3-yl)-3-oxopropanoateMFCD00866839Oprea1_020741ethyl 3-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-3-oxopropanoateHMS3651H22
Database identifiers
- CAS
119637-67-1- PubChem CID
- 65935
- DTXSID
DTXSID00869634- ChEMBL
CHEMBL146980- UNII
- 6Y556547YY
- Nikkaji
- J561.985H
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 90.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 406
Physicochemical properties
- Melting point
- 72 · 72-76°C
- Boiling point
- 506.8 · 506.8±50.0 °C(Predicted)
- Density
- 1.225 · 1.225±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Inert atmosphere,2-8°C
- solubility
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 13.49 · 13.49±0.40(Predicted)
- color
- White to Off-White
- CAS DataBase Reference
- 119637 · 119637-67-1(CAS DataBase Reference)
- FDA UNII
- 6 Y556547YY · 6Y556547YY
Chemistry & industry
Applications
Usesantitussive, non-narcotic
UsesAn antitussive with properties similar to codeine
UsesPeripherally acting antitussive.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
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Related reactions
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Compound notes
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