Basic information
- CAS
79714-31-1- Standard SMILES
CCCCCOc1ccc(C2SC(=O)NC2=O)cc1OCC- InChIKey
CRPGRUONUFDYBG-UHFFFAOYSA-N- Molecular formula
- C16H21NO4S
- Average molar mass
- 323.4 g/mol
- Monoisotopic mass
- 323.11912932
Overview
Risarestat is a thiazolidinone.
Names & identifiers
- Preferred name
- Risarestat
- IUPAC
- 5-(3-ethoxy-4-pentoxyphenyl)-1,3-thiazolidine-2,4-dione
- English name
- CT 112
- Molecular formula
- C16H21NO4S
- Molecular weight
- 323.41
Names & synonyms
Risarestat79714-31-1CT 112CT-112RisrestatDTXSID70487966I9DQB98QI2,4-Thiazolidinedione, 5-(3-ethoxy-4-(pentyloxy)phenyl)-5-(3-ethoxy-4-pentyloxyphenyl)-2,4-thiazolidinedioneDTXCID7028722CHEBI:321015-[3-ethoxy-4-pentyloxyphenyl]-2,4-thiazolidinedione
Show more names
RISARESTAT (CT-112)Risarestat, 10 mM in DMSOCT 112 (reductase inhibitor)5-(3-Ethoxy-4-pentoxyphenyl)thiazolidine-2,4-dione5-[3-Ethoxy-4-(pentyloxy)phenyl]-2,4-thiazolidinedione2,4-Thiazolidinedione, 5-[3-ethoxy-4-(pentyloxy)phenyl]-
risarestatumRefChem:179490Risarestat [INN]5-(3-Ethoxy-4-(pentyloxy)phenyl)thiazolidine-2,4-dione5-(3-ethoxy-4-pentoxyphenyl)-1,3-thiazolidine-2,4-dioneRisarestat (INN)NCGC00183007-015-[3-ethoxy-4-(pentyloxy)phenyl]-1,3-thiazolidine-2,4-dione
Database identifiers
- CAS
79714-31-1- PubChem CID
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 390
Physicochemical properties
- Boiling point
- 485.9 · 485.9±45.0 °C(Predicted)
- Density
- 1.189 · 1.189±0.06 g/cm3(Predicted)
- pka
- 5.91 · 5.91±0.50(Predicted)
- form
- Solid
- color
- White to light yellow
- FDA UNII
- 6 I9DQB98QI · 6I9DQB98QI
Chemistry & industry
Applications
UsesRisarestat (CT-112), an aldose reductase inhibitor, is developed for the treatment of diabetic complications.
Suppliers13 total
北京华美互利生物化工010-56205725 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
上海迪凯蒙生物医药科技有限公司15901859516 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
斯派螺（武汉）药物研发有限公司[email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海阿摩尔生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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