chempirical

Cinepazide maleate

C26H35N3O9CAS 26328-04-1533.58 g/mol

Open in Covalent MOL file
OONNONOOOHOOOH
AlkeneAmideCarboxylic acidEtherTertiary amine

Properties

Molecular formula
C26H35N3O9
Molar mass
533.58 g/mol
Exact mass
533.2373 Da
Melting point
135 °C
logP
1.20Crippen estimate
Polar surface area
146.2 Ų
H-bond donors / acceptors
2 / 8
Rotatable bonds
9

Identifiers

CAS number
26328-04-1
SMILES
COc1cc(C=CC(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC.O=C(O)/C=CC(=O)O
InChIKey
XSTJTOKYCAJVMJ-BTJKTKAUSA-N
InChI
InChI=1S/C22H31N3O5.C4H4O4/c1-28-18-14-17(15-19(29-2)22(18)30-3)6-7-20(26)25-12-10-23(11-13-25)16-21(27)24-8-4-5-9-24;5-3(6)1-2-4(7)8/h6-7,14-15H,4-5,8-13,16H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • 2-Propen-1-one, 1-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]-3-(3,4,5-trimethoxyphenyl)-, (2Z)-2-butenedioate (1:1)
  • Piperazine, 1-[(1-pyrrolidinylcarbonyl)methyl]-4-(3,4,5-trimethoxycinnamoyl)-, maleate (1:1)
  • Piperazine, 1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-4-[1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl]-, (Z)-2-butenedioate (1:1)
  • Piperazine, 1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-4-[1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl]-, (2Z)-2-butenedioate (1:1)
  • Brendil
  • Vasodistal
  • MD 67350
  • NSC 291562

Work with Cinepazide maleate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Cinepazide23887-46-987 % similar (E)-3,4,5-Trimethoxycinnamic acid20329-98-058 % similar 3,4,5-Trimethoxycinnamic acid90-50-658 % similar Piperlongumine20069-09-448 % similar Sinapinic acid530-59-647 % similar 3,4-Dimethoxycinnamic acid14737-89-444 % similar 3′,4′-Dimethoxycinnamic acid2316-26-944 % similar Ferulic acid1135-24-642 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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