Prucalopride succinate

C₂₂H₃₂ClN₃O₇CAS 179474-85-2485.96 g/mol

Open in Covalent MOL file

Amide Aryl halide Carboxylic acid Ether Primary amine Tertiary amine

Properties

Molecular formula: C₂₂H₃₂ClN₃O₇
Molar mass: 485.96 g/mol
Exact mass: 485.1929 Da
logP: 2.02Crippen estimate
Polar surface area: 151.4 Å²
H-bond donors / acceptors: 4 / 7
Rotatable bonds: 9

Hazards

Warning

H302 Harmful if swallowed87.5% of notifiers
H315 Causes skin irritation12.5% of notifiers
H319 Causes serious eye irritation12.5% of notifiers
H335 May cause respiratory irritation12.5% of notifiers
H400 Very toxic to aquatic life12.5% of notifiers
H412 Harmful to aquatic life with long lasting effects87.5% of notifiers

Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

179474-85-2

SMILES

COCCCN1CCC(CC1)NC(=O)C2=CC(=C(C3=C2OCC3)N)Cl.C(CC(=O)O)C(=O)O

InChIKey

QZRSNVSQLGRAID-UHFFFAOYSA-N

InChI

InChI=1S/C18H26ClN3O3.C4H6O4/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;5-3(6)1-2-4(7)8/h11-12H,2-10,20H2,1H3,(H,21,23);1-2H2,(H,5,6)(H,7,8)

Weigh it out

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

Work with Prucalopride succinate

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.

Succinic acid110-15-6Free acid Prucalopride179474-81-8Free base 1-(2-Hydroxyethyl)-2,2,6,6-tetramethyl-4-hydroxypiperidine-succinic acid copolymer70198-29-7Salt Donormil562-10-7Salt Sumatriptan succinate103628-48-4Salt Loxapine succinate27833-64-3Salt Metoprolol succinate98418-47-4Salt Diammonium succinate2226-88-2Salt Disodium succinate150-90-3Salt Mexidol127464-43-1Salt Solifenacin succinate242478-38-2Salt 1,1-Dimethylethyl N-[(1S,3S,4S)-4-amino-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]carbamate butanedioate (2:1)183388-64-9Salt

Similar compounds

4-Amino-5-chloro-2,3-dihydro-7-benzofurancarboxylic acid123654-26-246 % similar Clebopride hydrogen malate57645-91-730 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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