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LY 344864 racemate

CAT: 0013-GTR19200748-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19200748-01Size:100 mg
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Description
LY 344864 racemate is a selective agonist for the serotonin 1F (5-HT1F) receptor. This compound is utilized in neuroscience research to investigate receptor function and has been applied in preclinical studies exploring mechanisms of migraine and neuropathic pain.
CAS Number
186543-64-6
Product Name Alternative
5-HT1F, 5HTReceptor, 5HT Receptor, LY 344864 racemate
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Purity
99.47% (May vary between batches)
Solubility
DMSO:50 mg/mL (142.28 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:1 mg/mL (2.85 mM)
Smiles
CN (C) C1CCc2[nH]c3ccc (NC (=O) c4ccc (F) cc4) cc3c2C1
Molecular Formula
C21H22FN3O
Molecular Weight
351.42
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

LY 344864 racemate
CAS Number186543-64-6
PubChem CID18971832
IUPAC NameN-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-fluorobenzamide
Molecular FormulaC21H22FN3O
Molecular Weight351.4
XLogP3.8
Topological Polar Surface Area48.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity505
SMILES
CN(C)C1CCC2=C(C1)C3=C(N2)C=CC(=C3)NC(=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C21H22FN3O/c1-25(2)16-8-10-20-18(12-16)17-11-15(7-9-19(17)24-20)23-21(26)13-3-5-14(22)6-4-13/h3-7,9,11,16,24H,8,10,12H2,1-2H3,(H,23,26)
InChIKey
GKWHICIUSVVNGX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of LY 344864 racemate
CAS: 186543-64-6
CID: 18971832
Formula: C21H22FN3O
MW: 351.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight351.4
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass351.17469050
Monoisotopic Mass351.17469050
Topological Polar Surface Area48.1 Ų
Heavy Atom Count26
Formal Charge0
Complexity505
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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