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Chemical structure of Lecozotan hydrochloride

GC75876

Lecozotan hydrochloride

Also known as 4-cyano-N-[(2R)-2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-N-pyridin-2-ylbenzamide;hydrochloride

Lecozotan (SRA-333) hydrochloride is an orally active and selective antagonist of 5-HT1A with a Ki of 4·5 nM for cloned human 5-HT1A receptor

ChemicalCAS433282-68-9MW520.02FormulaC28H30ClN5O3
CAS number
433282-68-9
Molecular weight
520.02
Formula
C28H30ClN5O3
Solubility
DMSO： 125 mg/mL (240·38 mM; Need ultrasonic)
InChIKey
GXYZREDEYDFJPT-ZMBIFBSDSA-N
Catalogue number
GC75876
Brand
GLPBIO
Computed properties PubChem CID 11156648 · TPSA 81.9 Ų · H-bond donors 1 · H-bond acceptors 7
TPSA
81.9 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
37

SMILES C[C@H](CN(C1=CC=CC=N1)C(=O)C2=CC=C(C=C2)C#N)N3CCN(CC3)C4=C5C(=CC=C4)OCCO5.Cl

Computed descriptors from PubChem (CID 11156648), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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