chempirical

Prucalopride succinate

C22H32ClN3O7CAS 179474-85-2485.96 g/mol

Open in Covalent MOL file
ONNHOONH2ClOOHOHO
AmideAryl halideCarboxylic acidEtherPrimary amineTertiary 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 Ų
H-bond donors / acceptors
4 / 7
Rotatable bonds
9

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)

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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

Similar compounds

Prucalopride179474-81-862 % similar 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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