Marvin  04071010042D          

 19 19  0  0  0  0            999 V2000
    3.8484   -3.8637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5652   -3.4465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8484   -4.6910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1311   -3.4465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2790   -3.8603    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1311   -5.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4109   -3.8637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9959   -3.4465    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.2824   -4.6841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4109   -4.6910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7095   -3.8568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9924   -2.6193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4232   -3.4432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1367   -3.8568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4196   -2.6193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8501   -3.4432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1332   -2.2056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8467   -2.6193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7345   -2.6103    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  1  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
  7 10  2  0  0  0  0
 17 18  1  0  0  0  0
M  CHG  2   8   1  19  -1
M  END
> <ID>
CHEBI:59169

> <NAME>
benzphetamine hydrochloride

> <DEFINITION>
The hydrochloride salt of benzphetamine. A sympathomimetic agent with properties similar to dextroamphetamine, it is used in the treatment of obesity.

> <STAR>
3

> <SYNONYM>
benzphetamine HCl; (2S)-N-benzyl-1-phenylpropan-2-aminium chloride; (+)-N-benzyl-N,alpha-dimethylphenethylamine hydrochloride

> <IUPAC_NAME>
(2S)-N-benzyl-1-phenylpropan-2-amine hydrochloride (1:1)

> <FORMULA>
C17H22ClN

> <MASS>
275.81600

> <MONOISOTOPIC_MASS>
275.14408

> <CHARGE>
0

> <SMILES>
[Cl-].C[C@@H](Cc1ccccc1)[NH+](C)Cc1ccccc1

> <INCHI>
InChI=1S/C17H21N.ClH/c1-15(13-16-9-5-3-6-10-16)18(2)14-17-11-7-4-8-12-17;/h3-12,15H,13-14H2,1-2H3;1H/t15-;/m0./s1

> <INCHIKEY>
ANFSNXAXVLRZCG-RSAXXLAASA-N

> <BEILSTEIN_REGISTRY_NUMBER>
3917155

> <CAS_REGISTRY_NUMBER>
5411-22-3

> <CHEMIDPLUS>
5411-22-3

$$$$