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Chemical structure of RS 39604 hydrochloride

GC14625

RS 39604 hydrochloride

Also known as N-[2-[4-[3-[4-amino-5-chloro-2-[(3,5-dimethoxyphenyl)methoxy]phenyl]-3-oxopropyl]piperidin-1-yl]ethyl]methanesulfonamide;hydrochloride

RS 39604 hydrochloride is a potent, selective, and orally active 5-HT4 receptor antagonist with a pKi of 9·1 in guinea pig striatal membranes

ChemicalCAS167710-87-4MW590.56FormulaC26H36ClN3O6S·HCl
CAS number
167710-87-4
Molecular weight
590.56
Formula
C26H36ClN3O6S·HCl
Solubility
＜59·06mg/ml in DMSO
InChIKey
QSMYZGMJSGUWPM-UHFFFAOYSA-N
Catalogue number
GC14625
Brand
GLPBIO
Computed properties PubChem CID 19081934 · TPSA 129 Ų · H-bond donors 3 · H-bond acceptors 9
TPSA
129 Ų
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
13
Heavy atoms
38

SMILES COC1=CC(=CC(=C1)COC2=CC(=C(C=C2C(=O)CCC3CCN(CC3)CCNS(=O)(=O)C)Cl)N)OC.Cl

Computed descriptors from PubChem (CID 19081934), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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