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LY314228

CAT: 0013-GTR19197153-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197153-02Size:50 mg
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Description
LY314228 is a selective 5-HT2A receptor antagonist used in pharmacological research. It is a valuable tool compound for investigating serotonin receptor function in both in vitro binding assays and in vivo behavioral studies related to neuropsychiatric disorders.
CAS Number
182633-54-1
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
C (CC) C1=C (COC2=CC=C (C=NNC (=N) N) C=C2) C=CC (C (C) =O) =C1O
Molecular Formula
C20H24N4O3
Molecular Weight
368.43
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

LY314228

an aryl aminoguanidine; a 5-HT2A receptor antagonist; structure given in first source

CAS Number182633-54-1
PubChem CID9976312
IUPAC Name2-[(E)-[4-[(4-acetyl-3-hydroxy-2-propylphenyl)methoxy]phenyl]methylideneamino]guanidine
Molecular FormulaC20H24N4O3
Molecular Weight368.4
XLogP3.2
Topological Polar Surface Area123
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count27
Formal Charge0
Complexity525
SMILES
CCCC1=C(C=CC(=C1O)C(=O)C)COC2=CC=C(C=C2)/C=N/N=C(N)N
InChI
InChI=1S/C20H24N4O3/c1-3-4-18-15(7-10-17(13(2)25)19(18)26)12-27-16-8-5-14(6-9-16)11-23-24-20(21)22/h5-11,26H,3-4,12H2,1-2H3,(H4,21,22,24)/b23-11+
InChIKey
TUXHQPAMNGTVLT-FOKLQQMPSA-N
Chemical Structure
2D Structure
2D structure of LY314228
CAS: 182633-54-1
CID: 9976312
Formula: C20H24N4O3
MW: 368.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight368.4
XLogP33.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass368.18484064
Monoisotopic Mass368.18484064
Topological Polar Surface Area123 Ų
Heavy Atom Count27
Formal Charge0
Complexity525
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T27943-01LY314228

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