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 |
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: | 12Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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