Basic information
- CAS
23887-41-4- Standard SMILES
CCOC(=O)CN1CCN(C(=O)C=Cc2cc(OC)c(OC)c(OC)c2)CC1- InChIKey
XDUOTWNXVDBCDY-UHFFFAOYSA-N- Molecular formula
- C20H28N2O6
- Average molar mass
- 392.4 g/mol
- Monoisotopic mass
- 392.19473662
Names & identifiers
- Preferred name
- Ethyl cinepazate
- IUPAC
- ethyl 2-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetate
- English name
- cinepazet
- Molecular formula
- C20H28N2O6
- Molecular weight
- 392.45
Names & synonyms
ethyl cinepazateEthyl {4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl}acetateorb2567315CHEMBL4762248SCHEMBL10795672ethyl 2-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetateNS00051678Ethyl 2-(4-(3-(3,4,5-trimethoxyphenyl)acryloyl)piperazin-1-yl)acetatecinepazetETHYL (4-(3-(3,4,5-TRIMETHOXYPHENYL)ACRYLOYL)-1-PIPERAZINYL)ACETATE{4-[3-(3,4,5-trimethoxy-phenyl)-acryloyl]-piperazin-1-yl}-acetic acid ethyl ester4-[1-Oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl]-1-piperazineacetic acid ethyl ester
Show more names
1-Piperazineacetic acid, 4-[1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propen-1-yl]-, ethyl ester
Database identifiers
- CAS
23887-41-4- PubChem CID
- 39758
- DTXSID
DTXSID50865121- ChEMBL
CHEMBL4762248
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 77.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 519
Physicochemical properties
- Melting point
- 96 ° · 96°
- Boiling point
- 564.9 · 564.9±50.0 °C(Predicted)
- Density
- 1.172 · 1.172±0.06 g/cm3(Predicted)
- pka
- 4.71 · 4.71±0.10(Predicted)
- FDA UNII
- 0 LC95WWE9Q · 0LC95WWE9Q
- ATC code
- 1 DX14 · C01DX14
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
- H315-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
UsesAnti-anginal.
Suppliers4 total
武汉鹏胤药业有限公司13163333255 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Additional notes
DefinitionChEBI: Cinepazet is an alpha-amino acid ester.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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