Compound: butenafine
SMILES: N(Cc1c2c(ccc1)cccc2)(Cc3ccc(C(C)(C)C)cc3)C
InChIKey: ABJKWBDEJIDSJZ-UHFFFAOYSA-N
Synonyms: butenafine, 101828-21-1, Butenafina, Butenafinum, N-(p-tert-Butylbenzyl)-N-methyl-1-naphthalenemethylamine, DTXSID7040657, 91Y494NL0X, 4-tert-butylbenzyl(methyl)(1-naphthalenemethyl)amine, CHEBI:3238, DTXCID5020657, (4-tert-Butyl-benzyl)-methyl-naphthalen-1-ylmethyl-amine, (4-tert-butylphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)methanamine, ((4-tert-butylphenyl)methyl)(methyl)(naphthalen-1-ylmethyl)amine, [(4-tert-butylphenyl)methyl](methyl)(naphthalen-1-ylmethyl)amine, RefChem:54581, D01AE23, Butenafine [INN], Butenafina [INN-Spanish], Butenafinum [INN-Latin], 1-(4-tert-butylphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)methanamine, Butenafine (INN), 1-Naphthalenemethanamine, N-[[4-(1,1-dimethylethyl)phenyl]methyl]-N-methyl-, N-(4-(tert-Butyl)benzyl)-N-methyl-1-(naphthalen-1-yl)methanamine, NCGC00159511-02, 1-(4-tert-butylphenyl)-N-methyl-N-(1-naphthylmethyl)methanamine, 4-tert-Butylbenzyl(methyl)(1-naphthalenemethyl)amine;4-tert-Butylbenzyl(methyl)(1-naphthalenemethyl)amine, CAS-101828-21-1, MFCD00917064, C23H27N, Butenafine [INN:BAN], SR-05000001448, UNII-91Y494NL0X, 101828-21-1 (free base), Spectrum_001553, BUTENAFINE [MI], SpecPlus_000920, BUTENAFINE [VANDF], CHEMBL990, BUTENAFINE [WHO-DD], SCHEMBL65526, KBioSS_002033, BIDD:GT0236, DivK1c_007016, N-p-tert-Butylbenzyl-N-methyl-1-naphthalenemethylamine, orb1705106, SCHEMBL29354083, KBio1_001960, KBio2_002033, KBio2_004601, KBio2_007169, GLXC-05173, HMS2089O04, HMS5085N19, Tox21 111729, Tox21_111729, [(4-tert-butylphenyl)methyl](methyl)[(naphthalen-1-yl)methyl]amine, BDBM50436713, DL-101, EBC-26773, N-Methyl-N-(naphthalen-1-ylmethyl)-1-(4-tert-butylphenyl)methanamine, s5944, AKOS015894905, N-[[4-(1,1-Dimethylethyl)phenyl]methyl]-N-methyl-1-naphthalenemethanamine, Tox21_111729_1, DB01091, FB71433, NCGC00159511-03, NCGC00159511-04, AC-13296, AC-37664, AS-13357, HY-114518, CS-0063358, NS00068556, C08067, D07596, G78302, AB00053744-02, AB00053744_03, EN300-22438020, Q850729, SR-05000001448-1, SR-05000001448-2, BRD-K90630139-003-05-9, N-methyl-N-(4'-t-butylbenzyl)-1-naphthylmethylamine, 1-(4-tert-Butylphenyl)-N-methyl-N-[(naphthalen-1-yl)methyl]methanamine, Butenafine; 1-Naphthalenemethanamine, N-[[4-(1,1-dimethylethyl)phenyl]methyl]-N-methyl-; N-[[4-(1,1-Dimethylethyl)phenyl]methyl]-N-methyl-1-naphthalenemethanamine; Butenafine
Theoretical properties:
molecular_formula: C23H27N
molecular_weight: 317.5 g/mol
exact_mass: 317.214349865 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 5
heavy_atom_count: 24
topological_polar_surface_area: 3.2 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
solubility: Slightly soluble (HCl salt)
Descriptions:
pubchem: Butenafine is trimethylamine in which hydrogen atoms attached to different methyl groups are substituted by 1-naphthyl and 4-tert-butylphenyl groups. It is an inhibitor of squalene epoxidase, an enzyme responsible for the creation of sterols needed in fungal cell membranes, and is used as its hydrochloride salt for treatment of dermatological fungal infections. It has a role as an EC 1.14.13.132 (squalene monooxygenase) inhibitor and an antifungal drug. It is a member of naphthalenes and a tertiary amine.
chebi: Trimethylamine in which hydrogen atoms attached to different methyl groups are substituted by 1-naphthyl and 4-<em>tert</em>-butylphenyl groups. It is an inhibitor of squalene epoxidase, an enzyme responsible for the creation of sterols needed in fungal cell membranes, and is used as its hydrochloride salt for treatment of dermatological fungal infections.
chembl: BUTENAFINE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Butenafine, sold under the brand names Lotrimin Ultra, Mentax, and Butop (In India only), is a synthetic benzylamine derived antifungal drug.
It is structurally related to the allylamine antifungals terbinafine & naftifine.