Desmethyl Butenafine Hydrochloride - CAS 101828-08-4

Catalog:	BB068440
Product Name:	Desmethyl Butenafine Hydrochloride
CAS:	101828-08-4
Synonyms:	N-[[4-(1,1-Dimethylethyl)phenyl]methyl]-1-naphthalenemethanamine Hydrochloride

Technical Data

IUPAC Name:	1-(4-tert-butylphenyl)-N-(naphthalen-1-ylmethyl)methanaminehydrochloride
Description:	Desmethyl Butenafine Hydrochloride, is an impurity of Butenafine (B690195), used as an antifungal.
Molecular Weight:	339.9
Molecular Formula:	C22H26ClN
Canonical SMILES:	CC(C)(C)C1=CC=C(C=C1)CNCC2=CC=CC3=CC=CC=C32.Cl
InChI:	InChI=1S/C22H25N.ClH/c1-22(2,3)20-13-11-17(12-14-20)15-23-16-19-9-6-8-18-7-4-5-10-21(18)19/h4-14,23H,15-16H2,1-3H31H
InChI Key:	QEUWBHDSYHEYDV-UHFFFAOYSA-N
Melting Point:	203-206°C
Solubility:	DMSO, Methanol
Appearance:	White Solid
Storage:	Refrigerator, under inert atmosphere
References:	Kokjohn, K., et al. Int. J. Dermatol., 42, 11 (2003), Sumikawa, M., et al. J. Dermatol., 34, 456 (2007),.

Complexity:	348
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	339.1753775
Formal Charge:	0
Heavy Atom Count:	24
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	339.1753775
Rotatable Bond Count:	5
Topological Polar Surface Area:	12Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0