chempirical

Mosapride

C21H25ClFN3O3CAS 112885-41-3421.90 g/mol

Open in Covalent MOL file
ONH2ClOHNNFO
Aryl halideEtherPrimary amineTertiary amine

Properties

Molecular formula
C21H25ClFN3O3
Molar mass
421.90 g/mol
Exact mass
421.1568 Da
Melting point
151–153 °C
logP
3.67Crippen estimate
Polar surface area
80.3 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
7

Identifiers

CAS number
112885-41-3
SMILES
CCOc1cc(N)c(Cl)cc1C(O)=NCC1CN(Cc2ccc(F)cc2)CCO1
InChIKey
YPELFRMCRYSPKZ-UHFFFAOYSA-N
InChI
InChI=1S/C21H25ClFN3O3/c1-2-28-20-10-19(24)18(22)9-17(20)21(27)25-11-16-13-26(7-8-29-16)12-14-3-5-15(23)6-4-14/h3-6,9-10,16H,2,7-8,11-13,24H2,1H3,(H,25,27)

Weigh it out

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

Names and synonyms

4 names
  • Benzamide, 4-amino-5-chloro-2-ethoxy-N-[[4-[(4-fluorophenyl)methyl]-2-morpholinyl]methyl]-
  • 4-Amino-5-chloro-2-ethoxy-N-[[4-[(4-fluorophenyl)methyl]-2-morpholinyl]methyl]benzamide
  • Moza
  • 4-Amino-5-chloro-2-ethoxy-N-[[4-(4-fluorobenzyl)-2-morpholinyl]methyl]benzamide

Work with Mosapride

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

Mosapride citrate112885-42-479 % similar Cisapride81098-60-445 % similar 2-Aminomethyl-4-(4-fluorobenzyl)morpholine112914-13-343 % similar Metoclopramide364-62-543 % similar 4-Amino-5-chloro-2-ethoxybenzoic acid108282-38-843 % similar 2-Acetylamidomethyl-4-(4-fluorobenzyl)morpholine112913-94-743 % similar Metoclopramide hydrochloride7232-21-542 % similar Metoclopramide monohydrochloride monohydrate54143-57-640 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook