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Roluperidone

CAT: 0013-GTR19175405-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19175405-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Roluperidone
CAS Number
359625-79-9
Product Name Alternative
5-HT2A, 5HT Receptor, 5-HT Receptor, 5-hydroxytryptamine Receptor, 5HTReceptor, CYR101, CYR-101, CYR 101, MIN 101, MIN101, MIN-101, inhibit, MT 210, MT210, MT-210, Inhibitor, Roluperidone, Serotonin Receptor, Sigma Receptor, sigma-2, Sigma receptor, Sigmareceptor, σ2
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Purity
96.08% (May vary between batches)
Solubility
H2O:< 0.1 mg/mL (insoluble) ; DMSO:33.33 mg/mL (90.96 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2.5 mg/mL (6.82 mM)
Smiles
Fc1ccc (cc1) C (=O) CN1CCC (CN2Cc3ccccc3C2=O) CC1
Molecular Formula
C22H23FN2O2
Molecular Weight
366.43
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-((1-(2-(4-Fluorophenyl)-2-oxoethyl)-4-piperidinyl)methyl)-2,3-dihydro-1H-isoindol-1-one

Roluperidone has been used in trials studying the treatment of Schizophrenia.

CAS Number359625-79-9
PubChem CID9799284
IUPAC Name2-[[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one
Molecular FormulaC22H23FN2O2
Molecular Weight366.4
XLogP3.2
Topological Polar Surface Area40.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity538
SMILES
C1CN(CCC1CN2CC3=CC=CC=C3C2=O)CC(=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C22H23FN2O2/c23-19-7-5-17(6-8-19)21(26)15-24-11-9-16(10-12-24)13-25-14-18-3-1-2-4-20(18)22(25)27/h1-8,16H,9-15H2
InChIKey
RNRYULFRLCBRQS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-((1-(2-(4-Fluorophenyl)-2-oxoethyl)-4-piperidinyl)methyl)-2,3-dihydro-1H-isoindol-1-one
CAS: 359625-79-9
CID: 9799284
Formula: C22H23FN2O2
MW: 366.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight366.4
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass366.17435614
Monoisotopic Mass366.17435614
Topological Polar Surface Area40.6 Ų
Heavy Atom Count27
Formal Charge0
Complexity538
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
E8039Roluperidone
A20770-2Roluperidone 2mg
A20770-1Roluperidone 1mg
A20770-50Roluperidone 50mg
A20770-25Roluperidone 25mg
A20770-10Roluperidone 10mg
A20770-100Roluperidone 100mg
A20770-5Roluperidone 5mg

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