11280714592D 1   1.00000     0.00000     0

 18 20  0     1  0            999 V2000
   -0.6583   -4.2167    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6583   -4.8167    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1333   -5.1167    0.0000 C   0  0  1  0  0  0           0  0  0
    0.3875   -4.2042    0.0000 N   0  0  3  0  0  0           0  0  0
   -0.1375   -3.9042    0.0000 C   0  0  0  0  0  0           0  0  0
    0.3917   -4.8125    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.1750   -3.9167    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1250   -5.7167    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.1833   -3.3167    0.0000 N   0  0  0  0  0  0           0  0  0
   -1.1750   -5.1167    0.0000 C   0  0  0  0  0  0           0  0  0
    0.9042   -3.9042    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.6958   -4.8167    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.6958   -4.2167    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6458   -6.0167    0.0000 C   0  0  0  0  0  0           0  0  0
    0.3917   -6.0125    0.0000 C   0  0  0  0  0  0           0  0  0
    0.3917   -6.6042    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6458   -6.6167    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1250   -6.9167    0.0000 C   0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  3  2  1  0     0  0
  4  5  1  0     0  0
  5  1  1  0     0  0
  6  4  1  0     0  0
  7  1  2  0     0  0
  3  8  1  1     0  0
  9  7  1  0     0  0
 10  2  2  0     0  0
 11  4  1  0     0  0
 12 13  2  0     0  0
 13  7  1  0     0  0
 14  8  2  0     0  0
 15  8  1  0     0  0
 16 15  2  0     0  0
 17 14  1  0     0  0
 18 16  1  0     0  0
 10 12  1  0     0  0
  6  3  1  0     0  0
 18 17  2  0     0  0
M  END
> <ID>
CHEBI:180847

> <NAME>
(S)-nomifensine

> <DEFINITION>
The S enantiomer of nomifensine.

> <STAR>
3

> <SYNONYM>
nomifensine (S); (S)-2-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-8-amine; (S)-1,2,3,4-tetrahydro-2-methyl-4-phenyl-8-isoquinolinamine; (-)-Nomiphensine; (-)-Nomifensine

> <IUPAC_NAME>
(4S)-2-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-8-amine

> <FORMULA>
C16H18N2

> <MASS>
238.32750

> <MONOISOTOPIC_MASS>
238.14700

> <CHARGE>
0

> <SMILES>
CN1C[C@@H](c2ccccc2)c2cccc(N)c2C1

> <INCHI>
InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3/t14-/m0/s1

> <INCHIKEY>
XXPANQJNYNUNES-AWEZNQCLSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
3593188

> <CAS_REGISTRY_NUMBER>
89664-18-6

> <REAXYS_REGISTRY_NUMBER>
3593188

> <CHEMIDPLUS>
89664-18-6

> <PUBMED_CITATION>
1502708

$$$$