Ethyl 2-(3-ethyl-4-oxo-5-piperidin-1-yl-1,3-thiazolidin-2-ylidene)acetate
Basic information
- CAS
17243-64-0- Standard SMILES
CCOC(=O)C=C1SC(N2CCCCC2)C(=O)N1CC- InChIKey
UAXYBJSAPFTPNB-UHFFFAOYSA-N- Molecular formula
- C14H22N2O3S
- Average molar mass
- 298.4 g/mol
- Monoisotopic mass
- 298.13511374
Overview
See also: Piprozolin (annotation moved to).
Names & identifiers
- Preferred name
- Ethyl 2-(3-ethyl-4-oxo-5-piperidin-1-yl-1,3-thiazolidin-2-ylidene)acetate
- IUPAC
- ethyl 2-(3-ethyl-4-oxo-5-piperidin-1-yl-1,3-thiazolidin-2-ylidene)acetate
- English name
- piprozolin
- Molecular formula
- C14H22N2O3S
- Molecular weight
- 298.4
Names & synonyms
17243-64-0ethyl 2-(3-ethyl-4-oxo-5-piperidin-1-yl-1,3-thiazolidin-2-ylidene)acetateethyl (2E)-2-[(5S)-3-ethyl-4-oxo-5-piperidin-1-yl-1,3-thiazolidin-2-ylidene]acetateProbilin; Secrebil; W 3699SCHEMBL123815orb1695657DTXSID70864757UAXYBJSAPFTPNB-UHFFFAOYSA-NNS001001633-ethyl-4-oxo-5-piperidino-delta-thiazolidine acetic acid ethyl esterEthyl [3-ethyl-4-oxo-5-(piperidin-1-yl)-1,3-thiazolidin-2-ylidene]acetateW-3699
Show more names
W 3699Go-919Go 919piprozolinpiprozolineW3699|||W-3699|||W 36993-Ethyl-4-oxo-5-piperidinothiazolidin-2-ylideneacetic acid ethyl esterEthyl 2-(3-ethyl-4-oxo-5-(piperidin-1-yl)thiazolidin-2-ylidene)acetateEthyl (3-ethyl-4-oxo-5-piperidin-1-yl-1,3-thiazolidin-2-ylidene)acetate
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 75.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 405
Physicochemical properties
- Melting point
- 86 · 86-87°
- Boiling point
- 460.2 · 460.2±45.0 °C(Predicted)
- Density
- 1.252 · 1.252±0.06 g/cm3(Predicted)
- pka
- 4.15 · 4.15±0.20(Predicted)
- FDA UNII
- 7786 W0VV8M · 7786W0VV8M
- ATC code
- 5 AX01 · A05AX01
- Toxicity
- 50 in · LD50 in mice, rats (mg/kg): 1070, 3256 orally (Herrmann)
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
- Toxicity
- LD50 in mice, rats (mg/kg): 1070, 3256 orally (Herrmann)
Chemistry & industry
Applications
UsesCholeretic.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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