Ketcher 06141809532D 1   1.00000     0.00000     0

 13 13  0     0  0            999 V2000
    7.6293   -5.0418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6293   -6.0421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4957   -6.5423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3621   -6.0421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3621   -5.0418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4957   -4.5416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2417   -4.5337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1028   -5.0308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9476   -4.5430    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2417   -6.5501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2417   -7.5504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1031   -6.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8008   -5.0355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  2  3  1  0     0  0
  3  4  2  0     0  0
  4  5  1  0     0  0
  5  6  2  0     0  0
  1  6  1  0     0  0
  5  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  4 10  1  0     0  0
 10 11  1  0     0  0
  8 12  1  0     0  0
  9 13  1  0     0  0
M  END
> <ID>
CHEBI:134817

> <NAME>
methoxyphenamine

> <DEFINITION>
An amphetamine methylated on nitrogen and with the phenyl ring methoxylated at C-2. A β-adrenergic receptor agonist, it is used as a bronchodilator.

> <STAR>
3

> <SYNONYM>
OMMA; methoxyphenamin; methoxiphenadrin; 2-Methoxymethamphetamine

> <IUPAC_NAME>
1-(2-methoxyphenyl)-N-methylpropan-2-amine

> <INN>
metoxifenamina; methoxyphenaminum; methoxyphenamine; methoxyphenamine

> <FORMULA>
C11H17NO

> <MASS>
179.259

> <MONOISOTOPIC_MASS>
179.13101

> <CHARGE>
0

> <SMILES>
C1=CC=C(C(=C1)CC(NC)C)OC

> <INCHI>
InChI=1S/C11H17NO/c1-9(12-2)8-10-6-4-5-7-11(10)13-3/h4-7,9,12H,8H2,1-3H3

> <INCHIKEY>
OEHAYUOVELTAPG-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
93-30-1

> <REAXYS_REGISTRY_NUMBER>
2803353

> <PUBMED_CITATION>
16797572; 18708694; 7835228

$$$$