Terbinafine
(E)-N,6,6-trimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine
Molecular Identity
Terbinafine
(E)-N,6,6-trimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine
PubChem CID: 1549008
Terbinafine is a tertiary amine that is N-methyl-1-naphthalenemethylamine in which the amino hydrogen is replaced by a 3-(tertbutylethynyl)allyl group. An antifungal agent administered orally (generally as the hydrochloride salt) for the treatment of skin and nail infections. It has a role as a P450 inhibitor, an EC 1.14.13.132 (squalene monooxygenase) inhibitor and a sterol biosynthesis inhibitor. It is a member of naphthalenes, a tertiary amine, an enyne, an acetylenic compound and an allylamine antifungal drug. It is a conjugate base of a terbinafine(1+).
2D Structure
Properties
C21H25N
Molecular Formula
291.40
Molecular Weight
g/mol
291.1987
Exact Mass
Da
5.6
XLogP
Above Lipinski threshold
3.2
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
1
H-Bond Acceptors
428
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)(C)C#CC=CCN(C)CC1=CC=CC2=CC=CC=C21Isomeric SMILES
SMILES: CC(C)(C)C#C/C=C/CN(C)CC1=CC=CC2=CC=CC=C21Synonyms(20)
terbinafine91161-71-6LamasilSF-86-327Terbinafina(E)-N-(6,6-Dimethyl-2-hepten-4-ynyl)-N-methyl-1-naphthalenemethylamineTerbinafinumDTXSID2023640(E)-N-(6,6-Dimethyl-2-hepten-4-ynyl)-N-methyl-1-naphthalene methanamineG7RIW8S0XPTDT 067TDT-0671-NAPHTHALENEMETHANAMINE, N-(6,6-DIMETHYL-2-HEPTEN-4-YNYL)-N-METHYL-, (E)-CHEBI:9448DTXCID703640
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Terbinafine
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