Timofibrate
Basic information
- CAS
64179-54-0- Standard SMILES
CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CSCC1C(=O)O- InChIKey
QSNOWCXXECLALL-UHFFFAOYSA-N- Molecular formula
- C14H16ClNO4S
- Average molar mass
- 329.8 g/mol
- Monoisotopic mass
- 329.0488569
Names & identifiers
- Preferred name
- Timofibrate
- IUPAC
- 3-[2-(4-chlorophenoxy)-2-methylpropanoyl]-1,3-thiazolidine-4-carboxylic acid
- English name
- Timofibrate
- Molecular formula
- C14H16ClNO4S
- Molecular weight
- 329.8
Names & synonyms
Timofibrate64179-54-0TimofibratoTimofibrate [INN]TimofibratumTimofibratum [INN-Latin]Timofibrato [INN-Spanish]UNII-85P20FW39R85P20FW39RTimofibratum (INN-Latin)Timofibrato (INN-Spanish)RefChem:190036
Show more names
3-[2-(4-Chlorophenoxy)-2-methylpropionyl]-4-thiazolidinecarboxylic acid3-[2-(4-Chlorophenoxy)-2-methylpropanoyl]-1,3-thiazolidine-4-carboxylicacid4-Thiazolidinecarboxylic acid, 3-[2-(4-chlorophenoxy)-2-methyl-1-oxopropyl]-
3-[2-(4-chlorophenoxy)-2-methylpropanoyl]-1,3-thiazolidine-4-carboxylic acid3-(2-(4-Chlorophenoxy)-2-methylpropanoyl)thiazolidine-4-carboxylic acid3-[2-(4-Chlorophenoxy)-2-methylpropanoyl]thiazolidine-4-carboxylic AcidMLS006011523orb2815197SCHEMBL2111650CHEMBL2106730DTXSID801021601
Database identifiers
- CAS
64179-54-0- PubChem CID
- 68834
- DTXSID
DTXSID801021601- ChEMBL
CHEMBL2106730- UNII
- 85P20FW39R
- Nikkaji
- J19.666E
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 92.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 410
Physicochemical properties
- FDA UNII
- 85 P20FW39R · 85P20FW39R
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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