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Chemical structure of Antihistamine-1

GC31141

Antihistamine-1

Also known as 1-[(4-fluorophenyl)methyl]-2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]benzimidazole

Antihistamine-1 is a H1-antihistamine (Ki=6·9 nM) with acceptable blood-brain barrier penetration and also an inhibitor of CYP2D6 and hERG channel with IC50s of 5·4 and 0·8 μM, respectively

ChemicalCAS1186430-60-3MW389.47FormulaC23H24FN5
CAS number
1186430-60-3
Molecular weight
389.47
Formula
C23H24FN5
Solubility
Soluble in DMSO
InChIKey
YGQQBKYVKLZEMA-UHFFFAOYSA-N
Catalogue number
GC31141
Brand
GLPBIO
Computed properties PubChem CID 45272895 · XLogP 4.4 · TPSA 38.9 Ų · H-bond donors 0
XLogP
4.4
TPSA
38.9 Ų
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
29

SMILES CC1=CN(N=C1)C2CCN(CC2)C3=NC4=CC=CC=C4N3CC5=CC=C(C=C5)F

Computed descriptors from PubChem (CID 45272895), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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