Basic information
- CAS
23887-46-9- Standard SMILES
COc1cc(C=CC(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC- InChIKey
RCUDFXMNPQNBDU-UHFFFAOYSA-N- Molecular formula
- C22H31N3O5
- Average molar mass
- 417.5 g/mol
- Monoisotopic mass
- 417.22637109
Names & identifiers
- Preferred name
- Cinepazime
- IUPAC
- 1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
- English name
- Cinepazide
- Molecular formula
- C22H31N3O5
- Molecular weight
- 417.5
Names & synonyms
Cinepazime1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one2-Propen-1-one,1-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]-3-(3,4,5-trimethoxyphenyl)-SCHEMBL8839976CHEMBL2220667NDA19748AKOS032960259NS00050424CINEPAZIDENSC 291562Cinepazide free baseCinepazide USP/EP/BP
Show more names
1-(pyrrolidin-1-ylcarbonylmethyl)-4-(3,4,5-trimethoxycinnamoyl)piperazine1-(1-Pyrrolidinylcarbonylmethyl)-4-[3-(3,4,5-trimethoxyphenyl)acryloyl]piperazine1-[(1-Pyrrolidinylcarbonyl)methyl]-4-[1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl]piperazinePIPERAZINE,1-[2-OXO-2-(1-PYRROLIDINYL)ETHYL]-4-[1-OXO-3-(3,4,5-TRIMETHOXYPHENYL)-2-PROPENYL]2-Propen-1-one, 1-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]-3-(3,4,5-trimethoxyphenyl)-
Database identifiers
- CAS
23887-46-9
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 586
Physicochemical properties
- Boiling point
- 637.8 · 637.8±55.0 °C(Predicted)
- Density
- 1.2 · 1.200±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- pka
- 5.22 · 5.22±0.10(Predicted)
- CAS DataBase Reference
- 23887 · 23887-46-9(CAS DataBase Reference)
- FDA UNII
- 67 Y4P5C84X · 67Y4P5C84X
- ATC code
- 4 AX27 · C04AX27
Chemistry & industry
Applications
UsesCinepazide is an injection in the treatment of acute myocardial infarction and its effect on serum inflammatory factors.
Upstream & downstream products
Upstream raw materials
Suppliers24 total
LGM Pharma1-(800)-881-8210 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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