IUPAC name
[(2E)-6,6-dimethylhept-2-en-4-yn-1-yl](methyl)(naphthalen-1-ylmethyl)amine
SMILES
CN(C\C=C\C#CC(C)(C)C)CC1=CC=CC2=CC=CC=C12
Compound class
Antifungal Agents; Dermatologicals; Antifungals for Topical Use; Antifungals for Dermatological Use; Antifungals for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors;
Therapeutic area
For the treatment of dermatophyte infections of the toenail or fingernail caused by susceptible fungi. Also for the treatment of tinea capitis (scalp ringworm) and tinea corporis (body ringworm) or tinea cruris (jock itch).
Common name
Terbinafine
IUPAC name
[(2E)-6,6-dimethylhept-2-en-4-yn-1-yl](methyl)(naphthalen-1-ylmethyl)amine
SMILES
CN(C\C=C\C#CC(C)(C)C)CC1=CC=CC2=CC=CC=C12
INCHI
InChI=1S/C21H25N/c1-21(2,3)15-8-5-9-16-22(4)17-19-13-10-12-18-11-6-7-14-20(18)19/h5-7,9-14H,16-17H2,1-4H3/b9-5+
FORMULA
C21H25N
Common name
Terbinafine
IUPAC name
[(2E)-6,6-dimethylhept-2-en-4-yn-1-yl](methyl)(naphthalen-1-ylmethyl)amine
Molecular weight
291.430
clogP
5.156
clogS
-4.922
HBond Acceptor
1
HBond Donor
0
Total Polar Surface Area
3.24
Number of Rings
2
Rotatable Bond
6
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00012 | isobutane |
|
C(C)(C)C | 0.0611 |
| FDBF00022 | prop-1-ene |
|
CC=C | 0.0299 |
| FDBF00064 | N,N-dimethylmethanamine |
|
N(C)(C)C | 0.0371 |
| FDBF01707 | N-methylprop-2-en-1-amine |
|
C(NC)C=C | 0.0010 |
| FDBF01709 | N,N-dimethylprop-2-en-1-amine |
|
C(N(C)C)C=C | 0.0007 |
| FDBF01916 | but-1-en-3-yne |
|
C#CC=C | 0.0003 |
| FDBF01917 | 5,5-dimethylhex-1-en-3-yne |
|
C(C)(C)(C)C#CC=C | 0.0003 |
| FDBF01920 | (E)-6,6-dimethylhept-2-en-4-yne |
|
C(C)(C)(C)C#CC=CC | 0.0003 |
| FDBF01921 | (E)-N,N-dimethylpent-2-en-4-yn-1-amine |
|
N(C)(C)CC=CC#C | 0.0003 |
