Mosapride citrate

C₂₇H₃₃ClFN₃O₁₀CAS 112885-42-4614.02 g/mol

Open in Covalent MOL file

Alcohol Aryl halide Carboxylic acid Ether Primary amine Tertiary 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 Å²
H-bond donors / acceptors: 6 / 9
Rotatable bonds: 12

Hazards

Warning

H361 Suspected of damaging fertility or the unborn child100% of notifiers

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

Precautionary statements

P203, P280, P318, P405, P501

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)

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]-, 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

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.

2-Hydroxy-1,2,3-propanetricarboxylic acid hydrate (1:1)5949-29-1Hydrate Mosapride citrate dihydrate156925-25-6Hydrate Citric acid77-92-9Free acid Mosapride112885-41-3Free base Trisodium citrate68-04-2Salt Potassium citrate866-84-2Salt Calcium citrate813-94-5Salt Ammonium ferric citrate1185-57-5Salt Disodium citrate144-33-2Salt Monosodium citrate18996-35-5Salt Piperazine citrate144-29-6Salt Triammonium citrate3458-72-8Salt

Similar compounds

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 Metoclopramide hydrochloride7232-21-534 % similar Metoclopramide monohydrochloride monohydrate54143-57-633 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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