Butenafine hydrochloride supplier

Name
Butenafine hydrochloride
EINECS 642-354-4
CAS No. 101827-46-7
Density 1.032 g/cm³
Solubility Soluble in methanol, ethanol or chloroform, insoluble in anhydrous acetic acid or acetonitrile, practically insoluble in ether
Melting Point 210-214 °C
Formula C₂₃H₂₇N^.HCl
Boiling Point 426.1 °C at 760 mmHg
Molecular Weight 353.19
Flash Point 187.7 °C
Transport Information
Appearance White crystalline powder
Safety 44
Risk Codes 21
Molecular Structure
Hazard Symbols Xn
Synonyms N-(p-tert-Butylbenzyl)-N-methyl-1-naphthalenemethylamine hydrochloride;Butenafine hydrochloride (JAN/USAN);Butenafine HCl;1-Naphthalenemethanamine, N-((4-(1,1-dimethylethyl)phenyl)methyl)-N-methyl-, hydrochloride;1-(4-tert-Butylphenyl)-N-methyl-N-(1-naphthylmethyl)methanamine hydrochloride (1:1);1-(4-tert-butylphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)methanamine hydrochloride;1-(4-tert-butylphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)methanamine hydrochloride (1:1);1-(4-tert-Butylphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)methanaminhydrochlorid;1-[4-(1,1-diméthyléthyl)phényl]-N-méthyl-N-(naphtalén-1-ylméthyl)méthanamine chlorhydrate;1-naphthalenemethanamine, N-[[4-(1,1-dimethylethyl)phenyl]methyl]-N-methyl-, hydrochloride;1-naphthalenemethanamine, N-[[4-(1,1-dimethylethyl)phenyl]methyl]-N-methyl-, hydrochloride (1:1);
PSA 3.24000
LogP 6.57130

Butenafine hydrochloride Specification

The Butenafine HCl with CAS registry number of 101827-46-7 is also known as N-(p-tert-Butylbenzyl)-N-methyl-1-naphthalenemethylamine hydrochloride. The IUPAC name is 1-(4-tert-Butylphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)methanamine hydrochloride. It belongs to product categories of Active Pharmaceutical Ingredients; Antifungals for Research and Experimental Use; Biochemistry; Butenafine. In addition, the formula is C₂₃H₂₇N^.HCl and the molecular weight is 353.19. This chemical is a white crystalline powder and soluble in methanol, ethanol or chloroform, insoluble in anhydrous acetic acid or acetonitrile, practically insoluble in ether. What's more, it is used as an antifungal to control dermal fungal infections such as athletes foot and ring worm.

Physical properties about Butenafine HCl are: (1)ACD/LogP: 6.77; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 1; (4)#Freely Rotating Bonds: 5; (5)Polar Surface Area: 3.24Å²; (6)Flash Point: 187.7 °C; (7)Enthalpy of Vaporization: 68.08 kJ/mol; (8)Boiling Point: 426.1 °C at 760 mmHg; (9)Vapour Pressure: 1.82E-07 mmHg at 25 °C.

Preparation of Butenafine HCl: it is prepared by reaction of N-methyl-1-naphthalene methylamine hydrochloride with tert-Butyl benzyl bromide. The reaction needs reagent sodium carbonate and solvent dimethylformamide at the temperature of 30-40 °C for 5 hours. The yield is about 94%.

Butenafine HCl is prepared by reaction of N-methyl-1-naphthalene methylamine hydrochloride with tert-Butyl benzyl bromide.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)CN(C)CC2=CC=CC3=CC=CC=C32.Cl
2. 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
3. InChIKey: LJBSAUIFGPSHCN-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LD50	oral	> 5gm/kg (5000mg/kg)	SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE BEHAVIORAL: ATAXIA GASTROINTESTINAL: NAUSEA OR VOMITING	Kiso to Rinsho. Clinical Report. Vol. 24, Pg. 1551, 1990.
dog	LD50	skin	> 100mg/kg (100mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 23, Pg. 201, 1992.
mouse	LD50	intravenous	> 140mg/kg (140mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 23, Pg. 201, 1992.
mouse	LD50	oral	> 5gm/kg (5000mg/kg)	SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION	Kiso to Rinsho. Clinical Report. Vol. 24, Pg. 1539, 1990.
mouse	LD50	skin	> 800mg/kg (800mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 23, Pg. 201, 1992.
mouse	LD50	subcutaneous	> 200mg/kg (200mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 23, Pg. 201, 1992.
rat	LD50	intravenous	> 100mg/kg (100mg/kg)	SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION	Kiso to Rinsho. Clinical Report. Vol. 24, Pg. 1539, 1990.
rat	LD50	oral	> 4gm/kg (4000mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 23, Pg. 201, 1992.
rat	LD50	skin	> 1gm/kg (1000mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 23, Pg. 201, 1992.
rat	LD50	subcutaneous	> 150mg/kg (150mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 23, Pg. 201, 1992.
rat	LDLo	intraperitoneal	1gm/kg (1000mg/kg)	SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION	Kiso to Rinsho. Clinical Report. Vol. 24, Pg. 2589, 1990.

Product Name

Butenafine hydrochloride

Butenafine hydrochloride Specification

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