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Chemical structure of Roluperidone (CYR-101)

GC30206

Roluperidone (CYR-101)

Also known as 2-[[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one

Roluperidone (CYR-101) (CYR-101) is a novel cyclic amide derivative that has high equipotent affinities for 5-HT2A and sigma-2 receptors (Ki of 7·53 nM and 8·19 nM for 5-HT2A and sigma-2, respectively)

ChemicalCAS359625-79-9MW366.43FormulaC22H23FN2O2
CAS number
359625-79-9
Molecular weight
366.43
Formula
C22H23FN2O2
Solubility
DMSO : 33·33 mg/mL (90·96 mM);Water : < 0·1 mg/mL (insoluble)
InChIKey
RNRYULFRLCBRQS-UHFFFAOYSA-N
Catalogue number
GC30206
Brand
GLPBIO
Computed properties PubChem CID 9799284 · XLogP 3.2 · TPSA 40.6 Ų · H-bond donors 0
XLogP
3.2
TPSA
40.6 Ų
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
27

SMILES C1CN(CCC1CN2CC3=CC=CC=C3C2=O)CC(=O)C4=CC=C(C=C4)F

Computed descriptors from PubChem (CID 9799284), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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