Clebopride hydrogen malate

C₂₄H₃₀ClN₃O₇CAS 57645-91-7507.97 g/mol

Open in Covalent MOL file

Alcohol Aryl halide Carboxylic acid Ether Primary amine Tertiary amine

Properties

Molecular formula: C₂₄H₃₀ClN₃O₇
Molar mass: 507.97 g/mol
Exact mass: 507.1772 Da
logP: 2.81Crippen estimate
Polar surface area: 165.9 Å²
H-bond donors / acceptors: 5 / 7
Rotatable bonds: 8

Identifiers

CAS number

57645-91-7

SMILES

COc1cc(N)c(Cl)cc1C(O)=NC1CCN(Cc2ccccc2)CC1.O=C(O)CC(O)C(=O)O

InChIKey

NYNKCGWJPNZJMI-UHFFFAOYSA-N

InChI

InChI=1S/C20H24ClN3O2.C4H6O5/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14;5-2(4(8)9)1-3(6)7/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25);2,5H,1H2,(H,6,7)(H,8,9)

Weigh it out

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

Names and synonyms

10 names

Butanedioic acid, 2-hydroxy-, compd. with 4-amino-5-chloro-2-methoxy-N-[1-(phenylmethyl)-4-piperidinyl]benzamide (1:1)
Butanedioic acid, hydroxy-, compd. with 4-amino-5-chloro-2-methoxy-N-[1-(phenylmethyl)-4-piperidinyl]benzamide (1:1)
Benzamide, 4-amino-5-chloro-2-methoxy-N-[1-(phenylmethyl)-4-piperidinyl]-, hydroxybutanedioate (1:1)
Clebopride malate
Clanzol
Clast
Cleboril
Cleprid
Motilex
Amicos

Work with Clebopride hydrogen malate

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

Metoclopramide364-62-544 % similar Metoclopramide hydrochloride7232-21-543 % similar Cisapride81098-60-441 % similar Metoclopramide monohydrochloride monohydrate54143-57-641 % similar Mosapride citrate112885-42-439 % similar 4-Amino-5-chloro-2-methoxybenzoic acid7206-70-438 % similar Prucalopride179474-81-837 % similar Mosapride112885-41-337 % similar

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

Elsewhere

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