Itopride hydrochloride

C₂₀H₂₇ClN₂O₄CAS 122892-31-3394.90 g/mol

Open in Covalent MOL file

Ether Tertiary 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 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 9

Hazards

Warning

H400 Very toxic to aquatic life97.6% of notifiers
H410 Very toxic to aquatic life with long lasting effects92.9% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P391, P501

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

Weigh it out

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

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Itopride122898-67-3Free base

Similar compounds

Trimethobenzamide hydrochloride554-92-783 % similar Veratric acid hydrazide41764-74-344 % similar 4-[2-(Dimethylamino)ethoxy]benzenemethanamine20059-73-840 % similar Tamoxifen10540-29-137 % similar 3-Ethoxy-4-methoxybenzoic acid2651-55-036 % 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

PubChem CAS Common Chemistry NIST WebBook