chempirical

Mosapride citrate

C27H33ClFN3O10CAS 112885-42-4614.02 g/mol

Open in Covalent MOL file
ONH2ClOHNNFOOHOHOOOHOHO
AlcoholAryl halideCarboxylic acidEtherPrimary amineTertiary amine

Properties

Molecular formula
C27H33ClFN3O10
Molar mass
614.02 g/mol
Exact mass
613.1839 Da
logP
2.42Crippen estimate
Polar surface area
212.4 Ų
H-bond donors / acceptors
6 / 9
Rotatable bonds
12

Identifiers

CAS number
112885-42-4
SMILES
CCOc1cc(N)c(Cl)cc1C(O)=NCC1CN(Cc2ccc(F)cc2)CCO1.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIKey
HUZTYZBFZKRPFG-UHFFFAOYSA-N
InChI
InChI=1S/C21H25ClFN3O3.C6H8O7/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;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-6,9-10,16H,2,7-8,11-13,24H2,1H3,(H,25,27);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

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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]-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
  • AS 4370
  • Gasmotin
  • Mosid MT

Work with Mosapride citrate

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

Mosapride112885-41-379 % similar Clebopride hydrogen malate57645-91-739 % similar Cisapride81098-60-438 % similar 2-Acetylamidomethyl-4-(4-fluorobenzyl)morpholine112913-94-738 % similar 4-Amino-5-chloro-2-ethoxybenzoic acid108282-38-838 % similar Metoclopramide364-62-535 % similar 2-Aminomethyl-4-(4-fluorobenzyl)morpholine112914-13-335 % similar Clostilbegit50-41-935 % similar

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

Elsewhere

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