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Chemical structure of Cerlapirdine

GC63961

Cerlapirdine

Also known as N,N-dimethyl-3-[(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)oxy]propan-1-amine

Cerlapirdine (SAM-531, PF-05212365) is a selective and potent full antagonist of the 5-hydroxytryptamine 6 (5-HT6) receptor

ChemicalCAS925448-93-7MW409.5FormulaC22H23N3O3S
CAS number
925448-93-7
Molecular weight
409.5
Formula
C22H23N3O3S
Solubility
DMSO ： 41·67 mg/mL (101·76 mM; ultrasonic and warming and adjust pH to 3 with HCl and heat to 60°C)
InChIKey
NXQGEDVQXVTCDA-UHFFFAOYSA-N
Catalogue number
GC63961
Brand
GLPBIO
Computed properties PubChem CID 16071605 · XLogP 4.3 · TPSA 83.7 Ų · H-bond donors 1
XLogP
4.3
TPSA
83.7 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
29

SMILES CN(C)CCCOC1=CC2=C(NN=C2C=C1)S(=O)(=O)C3=CC=CC4=CC=CC=C43

Computed descriptors from PubChem (CID 16071605), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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