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Zalospirone

CAT: 0804-HY-169140-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-169140-01Size:1 mg
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Description
Zalospirone (WY-47846) is a novel cyclic imide with 5-HT1A partial agonist activity. Zalospirone shows antidepressant efficacy[1].
CAS Number
114298-18-9
Product Name Alternative
WY-47846
UNSPSC
12352005
Target
5-HT Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/zalospirone.html
Smiles
O=C1[C@@]2([H])[C@](C(N1CCCCN3CCN(C4=NC=CC=N4)CC3)=O)([H])[C@]5([H])[C@]6([H])[C@](C=C6)([H])[C@@]2([H])C=C5
Molecular Formula
C24H29N5O2
Molecular Weight
419.52
References & Citations
[1]K Rickels, et al. Zalospirone in major depression: a placebo-controlled multicenter study. J Clin Psychopharmacol. 1996 Jun;16 (3) :212-7.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
5-HT1 Receptor; mLAG-3

Chemical Information

Zalospirone

Zalospirone is a small molecule drug. The usage of the INN stem '-pirone' in the name indicates that Zalospirone is a anxiolytic, buspirone derivative. Zalospirone has a monoisotopic molecular weight of 419.23 Da.

CAS Number114298-18-9
PubChem CID163925
IUPAC Name(1R,2R,6S,7S,8S,11R)-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-4-azatetracyclo[5.4.2.02,6.08,11]trideca-9,12-diene-3,5-dione
Molecular FormulaC24H29N5O2
Molecular Weight419.5
XLogP1.4
Topological Polar Surface Area69.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity743
SMILES
C1CN(CCN1CCCCN2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]3C2=O)[C@@H]5[C@H]4C=C5)C6=NC=CC=N6
InChI
InChI=1S/C24H29N5O2/c30-22-20-18-6-7-19(17-5-4-16(17)18)21(20)23(31)29(22)11-2-1-10-27-12-14-28(15-13-27)24-25-8-3-9-26-24/h3-9,16-21H,1-2,10-15H2/t16-,17+,18-,19+,20-,21+
InChIKey
AERLHOTUXIJQFV-RCPZPFRWSA-N
Chemical Structure
2D Structure
2D structure of Zalospirone
CAS: 114298-18-9
CID: 163925
Formula: C24H29N5O2
MW: 419.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight419.5
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass419.23212518
Monoisotopic Mass419.23212518
Topological Polar Surface Area69.6 Ų
Heavy Atom Count31
Formal Charge0
Complexity743
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5810737Zalospirone

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