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Chemical structure of Clebopride malate

GC31418

Clebopride malate

Also known as 4-amino-N-(1-benzylpiperidin-1-ium-4-yl)-5-chloro-2-methoxybenzamide;2,4-dihydroxy-4-oxobutanoate

Clebopride malate is a dopamine antagonist drug with antiemetic and prokinetic properties used to treat functional gastrointestinal disorders

ChemicalCAS57645-91-7MW507.96FormulaC24H30ClN3O7
CAS number
57645-91-7
Molecular weight
507.96
Formula
C24H30ClN3O7
Solubility
DMSO ： ≥ 34 mg/mL (66·93 mM)
InChIKey
NYNKCGWJPNZJMI-UHFFFAOYSA-N
Catalogue number
GC31418
Brand
GLPBIO
Computed properties PubChem CID 42503 · TPSA 166 Ų · H-bond donors 5 · H-bond acceptors 8
TPSA
166 Ų
H-bond donors
5
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
35

SMILES COC1=CC(=C(C=C1C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)Cl)N.C(C(C(=O)[O-])O)C(=O)O

Computed descriptors from PubChem (CID 42503), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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