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Chemical structure of H3R antagonist 1

GC72831

H3R antagonist 1

Also known as 3-(1,3-benzodioxol-5-yl)-5-[(1-cyclobutylpiperidin-4-yl)methyl]-1,2,4-oxadiazole

H3R-IN-1 is a histamine receptor 3 (H3R) inverse agonist extracted from patent WO2013107336A1, compound example 2

ChemicalCAS1448422-61-4MW341.4FormulaC19H23N3O3
CAS number
1448422-61-4
Molecular weight
341.4
Formula
C19H23N3O3
Solubility
DMSO ： 100 mg/mL (292·91 mM; Need ultrasonic)
InChIKey
ATGQONNRRWKPGJ-UHFFFAOYSA-N
Catalogue number
GC72831
Brand
GLPBIO
Computed properties PubChem CID 71664257 · XLogP 3.6 · TPSA 60.6 Ų · H-bond donors 0
XLogP
3.6
TPSA
60.6 Ų
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
25

SMILES C1CC(C1)N2CCC(CC2)CC3=NC(=NO3)C4=CC5=C(C=C4)OCO5

Computed descriptors from PubChem (CID 71664257), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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