Cinepazide

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Basic information

CAS: 23887-46-9
Standard SMILES: COc1cc(/C=C/C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC
InChIKey: RCUDFXMNPQNBDU-VOTSOKGWSA-N
Molecular formula: C22H31N3O5
Average molar mass: 417.5 g/mol
Monoisotopic mass: 417.2263711

Overview

Cinepazide is an olefinic compound. It is functionally related to a cinnamic acid.

Names & identifiers

Preferred name: Cinepazide
IUPAC: (E)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
English name: Cinepazime
Molecular formula: C22H31N3O5
Molecular weight: 417.5

Names & synonyms

Cinepazide23887-46-9CinepazidaCinepazidumMD 67350 FREE BASEMD-67350 FREE BASE67Y4P5C84X1-((1-Pyrrolidinylcarbonyl)methyl)-4-(3,4,5-trimethoxycinnamoyl)piperazine(2E)-1-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-oneDTXSID5048261(2E)-1-(4-(2-oxo-2-(pyrrolidin-1-yl)ethyl)piperazin-1-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-oneRefChem:126212

Show more names

CinepazimePiperazine, 1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-4-[1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl]-, (E)- (9CI)

DTXCID6028236C04AX271-((1-pyrrolidynylcarbonyl)methyl)-4-(3,4,5-trimethoxycinnamoyl)piperazine maleate245-928-9Cinepazide free baseMFCD0086826688197-48-2(E)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one

Database identifiers

CAS: 23887-46-9、88197-48-2
PubChem CID: 5282459
DTXSID: DTXSID901112229
ChEMBL: CHEMBL1874750
ChEBI: CHEBI:135676
UNII: 67Y4P5C84X
EC Number: 245-928-9
Nikkaji: J20.276B、J257.431D

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 71.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 7
Heavy atoms: 30
Formal charge: 0
Complexity: 586

Experimental & physicochemical properties

DrugsPharmaceuticals -> Listed in ZINC15

Physicochemical properties

Boiling point: 637.8 · 637.8±55.0 °C(Predicted)
Density: 1.2 · 1.200±0.06 g/cm3(Predicted)
pka: 5.22 · 5.22±0.10(Predicted)

Chemistry & industry

Pharmacology

ATC Code · 2 items

C - Cardiovascular system

QC - Cardiovascular system

MeSH Pharmacological ClassificationDrugs used to cause dilation of the blood vessels.

Additional notes

DefinitionChEBI: Cinepazide is an olefinic compound. It is functionally related to a cinnamic acid.

Related reactions

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Compound notes

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