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 Number	114298-18-9
PubChem CID	163925
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 Formula	C24H29N5O2
Molecular Weight	419.5
XLogP	1.4
Topological Polar Surface Area	69.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	31
Formal Charge	0
Complexity	743

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

CAS: 114298-18-9

CID: 163925

Formula: C24H29N5O2

MW: 419.5

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	419.5
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	419.23212518
Monoisotopic Mass	419.23212518
Topological Polar Surface Area	69.6 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	743
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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MBS5810737	Zalospirone

Zalospirone

Chemical Information

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