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S 20499

CAT: 0013-GTR19242417-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19242417-02Size:10 mg
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Description
S 20499 is a research chemical that acts as a 5-HT1A receptor agonist, indicating potential anxiolytic properties. It is utilized in neuroscience and pharmacology research for investigating serotonin receptor function in both in vitro binding assays and in vivo behavioral models of anxiety.
CAS Number
143413-69-8
Smiles
O=C1CC2 (CC (=O) N1CCCCN (CCC) [C@H]3CC=4C (OC3) =CC=CC4OC) CCCC2.Cl
Molecular Formula
C26H39ClN2O4
Molecular Weight
479.05
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

S 20499
CAS Number143413-69-8
PubChem CID121851
IUPAC Name8-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride
Molecular FormulaC26H39ClN2O4
Molecular Weight479.0
Topological Polar Surface Area59.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count33
Formal Charge0
Complexity628
SMILES
CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C3CC4=C(C=CC=C4OC)OC3.Cl
InChI
InChI=1S/C26H38N2O4.ClH/c1-3-13-27(20-16-21-22(31-2)9-8-10-23(21)32-19-20)14-6-7-15-28-24(29)17-26(18-25(28)30)11-4-5-12-26;/h8-10,20H,3-7,11-19H2,1-2H3;1H
InChIKey
QYFHCFNBYQZGKW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of S 20499
CAS: 143413-69-8
CID: 121851
Formula: C26H39ClN2O4
MW: 479.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight479.0
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass478.2598354
Monoisotopic Mass478.2598354
Topological Polar Surface Area59.1 Ų
Heavy Atom Count33
Formal Charge0
Complexity628
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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