Prucalopride

C₁₈H₂₆ClN₃O₃CAS 179474-81-8367.87 g/mol

Open in Covalent MOL file

Aryl halide Ether Primary amine Tertiary 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 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 6

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation50% of notifiers
H400 Very toxic to aquatic life50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

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

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.

Prucalopride succinate179474-85-2Salt

Similar compounds

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 Y 25130141922-90-931 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook