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65472-88-0 molecular structure
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methyl(naphthalen-1-ylmethyl)(3-phenylprop-2-en-1-yl)amine

ChemBase ID: 616
Molecular Formular: C21H21N
Molecular Mass: 287.39814
Monoisotopic Mass: 287.16739968
SMILES and InChIs

SMILES:
N(Cc1c2c(ccc1)cccc2)(CC=Cc1ccccc1)C
Canonical SMILES:
CN(Cc1cccc2c1cccc2)CC=Cc1ccccc1
InChI:
InChI=1S/C21H21N/c1-22(16-8-11-18-9-3-2-4-10-18)17-20-14-7-13-19-12-5-6-15-21(19)20/h2-15H,16-17H2,1H3
InChIKey:
OZGNYLLQHRPOBR-UHFFFAOYSA-N

Cite this record

CBID:616 http://www.chembase.cn/molecule-616.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl(naphthalen-1-ylmethyl)(3-phenylprop-2-en-1-yl)amine
IUPAC Traditional name
naftifine
Brand Name
Naftifine HCl
Naftin
Synonyms
Naftifine
CAS Number
65472-88-0
PubChem SID
160964079
46504777
PubChem CID
47641
73342

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
DrugBank DB00735 external link
PubChem 73342 external link
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
H Acceptors H Donor
LogD (pH = 5.5) 2.0022733  LogD (pH = 7.4) 3.5597782 
Log P 5.238508  Molar Refractivity 95.9821 cm3
Polarizability 38.28094 Å3 Polar Surface Area 3.24 Å2
Rotatable Bonds Lipinski's Rule of Five false 
Log P 4.96  LOG S -6.1 
Solubility (Water) 2.29e-04 g/l 

PROPERTIES

PROPERTIES

Physical Property Bioassay(PubChem)
Hydrophobicity(logP)
5.4 expand Show data source

DETAILS

DETAILS

DrugBank DrugBank
DrugBank - DB00735 external link
Item Information
Drug Groups approved
Description Naftifine is a synthetic, broad spectrum, antifungal agent and allylamine derivative for the topical treatment of tinea pedis, tinea cruris, and tinea corporis caused by the organisms Trichophyton rubrum, Trichophyton mentagrophytes, Trichophyton tonsurans and Epidermophyton floccosum.
Indication For the topical treatment of tinea pedis, tinea cruris, and tinea corporis caused by the organisms Trichophyton rubrum, Trichophyton mentagrophytes, Trichophyton tonsurans and Epidermophyton floccosum.
Pharmacology Naftifine is a synthetic, broad spectrum, antifungal agent and allylamine derivative. The following in vitro data are available, but their clinical significance is unknown. Naftifine has been shown to exhibit fungicidal activity in vitro against a broad spectrum of organisms including Trichophyton rubrum, Trichophyton mentagrophytes, Trichophyton tonsurans, Epidermophyton floccosum, and Microsporum canis, Microsporum audouini, and Microsporum gypseum; and fungistatic activity against Candida species including Candida albicans. However it is only used to treat the organisms listed in the indications.
Affected Organisms
Yeast and other fungi
Absorption Following single topical applications of 3H-labeled naftifine gel 1% to the skin of healthy subjects, up to 4.2% of the applied dose was absorbed.
Half Life Approximately 2 to 3 days following topical administration.
Elimination Naftifine and/or its metabolites are excreted via the urine and feces with a half-life of approximately two to three days.
External Links
Wikipedia
RxList
Drugs.com

REFERENCES

REFERENCES

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PATENTS

PATENTS

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