chempirical

Itopride hydrochloride

C20H27ClN2O4CAS 122892-31-3394.90 g/mol

Open in Covalent MOL file
OOHNONOHCl
EtherTertiary amine

Properties

Molecular formula
C20H27ClN2O4
Molar mass
394.90 g/mol
Exact mass
394.1659 Da
Melting point
192–196 °C
logP
3.57Crippen estimate
Polar surface area
63.5 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
9

Identifiers

CAS number
122892-31-3
SMILES
COc1ccc(C(O)=NCc2ccc(OCCN(C)C)cc2)cc1OC.Cl
InChIKey
ZTOUXLLIPWWHSR-UHFFFAOYSA-N
InChI
InChI=1S/C20H26N2O4.ClH/c1-22(2)11-12-26-17-8-5-15(6-9-17)14-21-20(23)16-7-10-18(24-3)19(13-16)25-4;/h5-10,13H,11-12,14H2,1-4H3,(H,21,23);1H

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Names and synonyms

4 names
  • Benzamide, N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,4-dimethoxy-, hydrochloride (1:1)
  • Benzamide, N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,4-dimethoxy-, monohydrochloride
  • HSR 803
  • Ganaton

Work with Itopride hydrochloride

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

Itopride122898-67-396 % similar Trimethobenzamide hydrochloride554-92-783 % similar Veratric acid hydrazide41764-74-344 % similar 4-[2-(Dimethylamino)ethoxy]benzenemethanamine20059-73-840 % similar Tamoxifen10540-29-137 % similar Mebeverine hydrochloride2753-45-936 % similar 3,4-Dimethoxybenzamide1521-41-136 % similar Veratric acid93-07-236 % similar

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

Elsewhere

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