Mrv0541 10171414192D          

 22 24  0  0  0  0            999 V2000
   17.0112  -12.7923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0112  -14.1410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1576  -14.8153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3714  -14.1410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3714  -12.7923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1576  -12.1179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5177  -14.8153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6641  -14.1410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6641  -12.7923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5177  -12.1179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5177  -10.7693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3714  -10.0949    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.2250  -10.7693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3714   -8.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0786  -10.0949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9323  -10.7693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7859  -10.0949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6395  -10.7693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4257  -10.0949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4257   -8.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5721   -8.0719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7859   -8.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 17 22  1  0  0  0  0
M  END
> <ID>
CHEBI:7451

> <NAME>
naftifine

> <DEFINITION>
A tertiary amine in which the nitrogen is substituted by methyl, α-naphthylmethyl, and (1E)-cinnamyl groups. It is used (usually as its hydrochloride salt) for the treatment of fungal skin infections.

> <STAR>
3

> <SYNONYM>
trans-N-cinnamyl-N-methyl-(1-naphthylmethyl)amine; naftifin; (E)-N-cinnamyl-N-methyl-1-naphthalenemethylamine

> <IUPAC_NAME>
(2E)-N-methyl-N-(1-naphthylmethyl)-3-phenylprop-2-en-1-amine

> <INN>
naftifinum; naftifine; naftifine; naftifina

> <FORMULA>
C21H21N

> <MASS>
287.39810

> <MONOISOTOPIC_MASS>
287.16740

> <CHARGE>
0

> <SMILES>
CN(C\C=C\c1ccccc1)Cc1cccc2ccccc12

> <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/b11-8+

> <INCHIKEY>
OZGNYLLQHRPOBR-DHZHZOJOSA-N

> <CAS_REGISTRY_NUMBER>
65472-88-0

> <REAXYS_REGISTRY_NUMBER>
2983617

> <CHEMIDPLUS>
65472-88-0

> <DRUGBANK_ACCESSION>
DB00735

> <KEGG_COMPOUND_ACCESSION>
C08071

> <KEGG_DRUG_ACCESSION>
D08245

> <WIKIPEDIA_ACCESSION>
Naftifine

> <PUBMED_CITATION>
18212112; 24196340; 25294700; 6388170

$$$$