Mosapride citrate dihydrate

C₂₇H₃₇ClFN₃O₁₂CAS 156925-25-6650.05 g/mol

Open in Covalent MOL file

Alcohol Amide Aryl halide Carboxylic acid Ether Primary amine Tertiary amine

Properties

Molecular formula: C₂₇H₃₇ClFN₃O₁₂
Molar mass: 650.05 g/mol
Exact mass: 649.2050 Da
logP: 0.19Crippen estimate
Polar surface area: 271.9 Å²
H-bond donors / acceptors: 6 / 9
Rotatable bonds: 12

Hazards

Danger

H318 Causes serious eye damage100% of notifiers

Aggregated from 52 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P354+P338, P317

Identifiers

CAS number

156925-25-6

SMILES

CCOC1=CC(=C(C=C1C(=O)NCC2CN(CCO2)CC3=CC=C(C=C3)F)Cl)N.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.O.O

InChIKey

KVKIQHMTGSGTFO-UHFFFAOYSA-N

InChI

InChI=1S/C21H25ClFN3O3.C6H8O7.2H2O/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);2*1H2

Weigh it out

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

Work with Mosapride citrate dihydrate

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 citrate112885-42-4Anhydrous 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

2-Acetylamidomethyl-4-(4-fluorobenzyl)morpholine112913-94-743 % similar 4-Amino-5-chloro-2-ethoxybenzoic acid108282-38-837 % similar 2-Aminomethyl-4-(4-fluorobenzyl)morpholine112914-13-334 % similar Cisapride81098-60-434 % similar Clebopride hydrogen malate57645-91-733 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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