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Chemical structure of Terbinafine

GC17066

Terbinafine

Also known as (E)-N,6,6-trimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine

Terbinafine (TDT 067) is a novel allylamine antifungal agent and a potent noncompetitive squalene cyclooxygenase inhibitor (Ki value is 30 nM) that selectively inhibits squalene cyclooxygenase, leading to a decrease in ergosterol, which interferes with membrane function and cell growth

ChemicalCAS91161-71-6MW291.43FormulaC21H25N
CAS number
91161-71-6
Molecular weight
291.43
Formula
C21H25N
Solubility
≥ 11·9mg/mL in DMSO
InChIKey
DOMXUEMWDBAQBQ-WEVVVXLNSA-N
Catalogue number
GC17066
Brand
GLPBIO
Computed properties PubChem CID 1549008 · XLogP 5.6 · TPSA 3.2 Ų · H-bond donors 0
XLogP
5.6
TPSA
3.2 Ų
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
5
Heavy atoms
22

SMILES CC(C)(C)C#C/C=C/CN(C)CC1=CC=CC2=CC=CC=C21

Computed descriptors from PubChem (CID 1549008), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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