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Chemical structure of LY 344864 racemate

GC36502

LY 344864 racemate

Also known as N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-fluorobenzamide

LY 344864 racemate is a 5-HT1F receptor agonist extracted from patent US 5708187 A

ChemicalCAS186543-64-6MW351.42FormulaC21H22FN3O
CAS number
186543-64-6
Molecular weight
351.42
Formula
C21H22FN3O
Solubility
DMSO ： 11 mg/mL (31·30 mM; Need ultrasonic)
InChIKey
GKWHICIUSVVNGX-UHFFFAOYSA-N
Catalogue number
GC36502
Brand
GLPBIO
Computed properties PubChem CID 18971832 · XLogP 3.8 · TPSA 48.1 Ų · H-bond donors 2
XLogP
3.8
TPSA
48.1 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
26

SMILES CN(C)C1CCC2=C(C1)C3=C(N2)C=CC(=C3)NC(=O)C4=CC=C(C=C4)F

Computed descriptors from PubChem (CID 18971832), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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