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LY 81067

CAT: 0931-T25764-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T25764-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
87186-60-5
Target
Others, GABA Receptor
Related Pathways
Membrane transporter/Ion channel, Others, Neuroscience
Bioactivity
LY 81067 is a new anticonvulsive compound that effectively protects against pentylenetetrazole- and picrotoxin-induced convulsions in mice. It exerts its anticonvulsant effects by binding to or near picrotoxin binding sites.
Smiles
CC1=CC=C(C=2C(=NN=C(N2)N3CCC(O)CC3)C4=CC=C(C)C=C4)C=C1
Molecular Formula
C22H24N4O
Molecular Weight
360.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

LY 81067

structure in first source

CAS Number87186-60-5
PubChem CID135892
IUPAC Name1-[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]piperidin-4-ol
Molecular FormulaC22H24N4O
Molecular Weight360.5
XLogP3.6
Topological Polar Surface Area62.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity451
SMILES
CC1=CC=C(C=C1)C2=C(N=NC(=N2)N3CCC(CC3)O)C4=CC=C(C=C4)C
InChI
InChI=1S/C22H24N4O/c1-15-3-7-17(8-4-15)20-21(18-9-5-16(2)6-10-18)24-25-22(23-20)26-13-11-19(27)12-14-26/h3-10,19,27H,11-14H2,1-2H3
InChIKey
DIASUTCRTFLJTA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of LY 81067
CAS: 87186-60-5
CID: 135892
Formula: C22H24N4O
MW: 360.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight360.5
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass360.19501140
Monoisotopic Mass360.19501140
Topological Polar Surface Area62.1 Ų
Heavy Atom Count27
Formal Charge0
Complexity451
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

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CatalogName
MBS5775495LY 81067

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