Butenafine hydrochlorideProduct ingredient for Butenafine

Name
Butenafine hydrochloride
Drug Entry
Butenafine

Butenafine hydrochloride is a synthetic benzylamine antifungal agent. Butenafine's mechanism of action is believed to involve the synthesis inhibition of sterols. In particular, butenafine acts to inhibit the activity of the squalene epoxidase enzyme that is essential in the formation of sterols necessary for fungal cell membranes.

Accession Number
DBSALT000245
Structure
Synonyms
Butenafine HCl
UNII
R8XA2029ZI
CAS Number
101827-46-7
Weight
Average: 353.928
Monoisotopic: 353.191027608
Chemical Formula
C23H28ClN
InChI Key
LJBSAUIFGPSHCN-UHFFFAOYSA-N
InChI
InChI=1S/C23H27N.ClH/c1-23(2,3)21-14-12-18(13-15-21)16-24(4)17-20-10-7-9-19-8-5-6-11-22(19)20;/h5-15H,16-17H2,1-4H3;1H
IUPAC Name
[(4-tert-butylphenyl)methyl](methyl)[(naphthalen-1-yl)methyl]amine hydrochloride
SMILES
Cl.CN(CC1=CC=C(C=C1)C(C)(C)C)CC1=CC=CC2=CC=CC=C12
KEGG Compound
C12490
PubChem Compound
443867
ChemSpider
391957
ChEBI
31325
ChEMBL
CHEMBL1200397
Wikipedia
Butenafine
Predicted Properties
PropertyValueSource
Water Solubility7.56e-05 mg/mLALOGPS
logP5.85ALOGPS
logP6.17Chemaxon
logS-6.6ALOGPS
pKa (Strongest Basic)9.06Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count1Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area3.24 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity104.33 m3·mol-1Chemaxon
Polarizability38.7 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon