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Chemical structure of Cisapride hydrate

GC25259

Cisapride hydrate

Also known as 4-amino-5-chloro-N-[(3S,4R)-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide;hydrate

Cisapride (Propulsid, Alimix, Propulsin, Enteropride, Kinestase) acts directly as a selective serotonin 5-HT4 receptor agonist with IC50 of 0·483 μM· And It also acts indirectly as a parasympathomimetic

ChemicalCAS260779-88-2MW483.96FormulaC23H29ClFN3O4·H2O
CAS number
260779-88-2
Molecular weight
483.96
Formula
C23H29ClFN3O4·H2O
Solubility
DMSO: 96 mg/mL (198·36 mM);Water: Insoluble;Ethanol: Insoluble
InChIKey
QBYYXIDJOFZORM-LBPAWUGGSA-N
Catalogue number
GC25259
Brand
GLPBIO
Computed properties PubChem CID 6917697 · TPSA 87.1 Ų · H-bond donors 3 · H-bond acceptors 8
TPSA
87.1 Ų
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
33

SMILES CO[C@H]1CN(CC[C@H]1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCCOC3=CC=C(C=C3)F.O

Computed descriptors from PubChem (CID 6917697), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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