chempirical

Prucalopride

C18H26ClN3O3CAS 179474-81-8367.87 g/mol

Open in Covalent MOL file
ONNHOClNH2O
Aryl halideEtherPrimary amineTertiary amine

Properties

Molecular formula
C18H26ClN3O3
Molar mass
367.87 g/mol
Exact mass
367.1663 Da
logP
2.66Crippen estimate
Polar surface area
80.3 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
6

Identifiers

CAS number
179474-81-8
SMILES
COCCCN1CCC(N=C(O)c2cc(Cl)c(N)c3c2OCC3)CC1
InChIKey
ZPMNHBXQOOVQJL-UHFFFAOYSA-N
InChI
InChI=1S/C18H26ClN3O3/c1-24-9-2-6-22-7-3-12(4-8-22)21-18(23)14-11-15(19)16(20)13-5-10-25-17(13)14/h11-12H,2-10,20H2,1H3,(H,21,23)

Weigh it out

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

Names and synonyms

2 names
  • 7-Benzofurancarboxamide, 4-amino-5-chloro-2,3-dihydro-N-[1-(3-methoxypropyl)-4-piperidinyl]-
  • 4-Amino-5-chloro-2,3-dihydro-N-[1-(3-methoxypropyl)-4-piperidinyl]-7-benzofurancarboxamide

Work with Prucalopride

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

Prucalopride succinate179474-85-262 % similar 4-Amino-5-chloro-2,3-dihydro-7-benzofurancarboxylic acid123654-26-248 % similar Cisapride81098-60-438 % similar Clebopride hydrogen malate57645-91-737 % similar 1-(3-Methoxypropyl)-4-piperidinamine179474-79-433 % similar Azasetron123040-69-732 % similar Metoclopramide364-62-531 % similar Y 25130123040-16-431 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook