Cinepazide Maleate
Basic information
- CAS
26328-04-1- Standard SMILES
COc1cc(/C=C/C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC.O=C(O)/C=C\C(=O)O- InChIKey
XSTJTOKYCAJVMJ-GVTSEVKNSA-N- Molecular formula
- C26H35N3O9
- Average molar mass
- 533.6 g/mol
- Monoisotopic mass
- 533.2373297
Names & identifiers
- Preferred name
- Cinepazide Maleate
- IUPAC
- (Z)-but-2-enedioic acid;(E)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
- English name
- Cinepazide maleate
- Molecular formula
- C22H31N3O5.C4H4O4
- Molecular weight
- 533.57
Names & synonyms
cinepazide maleate26328-04-1VasodistalBrendilY35B3VA60VMD 67350NSC-291562DTXCID30268591-((1-Pyrrolidinylcarbonyl)methyl)-4-(3,4,5-trimethoxycinnamoyl)piperazine maleateMD-673501-(2-Oxo-2-(1-pyrrolidinyl)ethyl)-4-(1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl)piperazine (Z)-2-butenedioate (1:1)DTXSID5046859
Show more names
md67350DD-3357GenBank AF247021Reaxys ID: 4121686maleatedecinepazideCinepazide MateateCinepazide Impurities1
1-[(1-Pyrrolidinylcarbonyl)methyl]-4-(3,4,5-trimethoxycinnamoyl)piperazine maleateRefChem:577182247-613-1MFCD01320526Cinepazide maleate [JAN]Cinepazide (Maleate)28044-44-2EINECS 248-795-5
Database identifiers
- CAS
26328-04-1、28044-44-2- PubChem CID
- 5282458
- ChEMBL
CHEMBL4303265- UNII
- Y35B3VA60V
- EC Number
- 247-613-1、248-795-5
Properties
Computed structural properties
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 705
Physicochemical properties
- Melting point
- 135 ° · 135°
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- color
- Off-White
- Water Solubility
- 2 O: · H2O: 20mg/mL, clear
- Merck
- 14 · 14,2291
- InChIKey
- XSTJTOKYCAJVMJ-GVTSEVKNSA-N
- SMILES
- C1(OC)C=C(C=C(OC)C=1OC)/C=C/C(=O)N1CCN(CC(=O)N2CCCC2)CC1.C(/C(=O)O)=C/C(=O)O
- CAS DataBase Reference
- 26328 · 26328-04-1(CAS DataBase Reference)
- FDA UNII
- 35 B3VA60V · Y35B3VA60V
- UNSPSC Code
- 12352125 · 12352125
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H320-H335
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- WGK 3
- hs_code
- 2933.59.5300
- Toxicity
- LD50 in mice, rats (mg/kg): 1000, 1310 orally; 617, 414 i.v. (Pourrias)
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H320-H335
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P270-P301+P312-P330
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationDrugs used to cause dilation of the blood vessels.
Applications
UsesCinepazide maleate is a maleate salt form of cinepazide which is a vasodilator.
UsesCinepazide Maleate, is a vasodilator used in China for the treatment of cardiovascular and cerebrovascular diseases, and peripheral vascular diseases.It appears to work by potentiating A2 adenosine receptors.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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