Marvin  08200809122D          

 11 11  0  0  0  0            999 V2000
   -0.6736   -1.8570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0408   -1.4445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6736   -0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3881   -0.6194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3881   -1.4445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0408   -0.6194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7553   -0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5803   -1.0319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4053   -0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5803   -0.2069    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.5803    0.6181    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  2  0  0  0  0
  2  6  2  0  0  0  0
  6  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7 10  1  0  0  0  0
 10  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <ID>
CHEBI:8080

> <NAME>
phentermine

> <STAR>
3

> <SYNONYM>
alpha,alpha-Dimethylphenethylamine

> <IUPAC_NAME>
2-methyl-1-phenylpropan-2-amine

> <INN>
phenterminum; phentermine; fentermina

> <FORMULA>
C10H15N

> <MASS>
149.23284

> <MONOISOTOPIC_MASS>
149.12045

> <CHARGE>
0

> <SMILES>
CC(C)(N)Cc1ccccc1

> <INCHI>
InChI=1S/C10H15N/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7H,8,11H2,1-2H3

> <INCHIKEY>
DHHVAGZRUROJKS-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
0970319

> <CAS_REGISTRY_NUMBER>
122-09-8

> <CHEMIDPLUS>
122-09-8

> <DRUGBANK_ACCESSION>
DB00191

> <KEGG_COMPOUND_ACCESSION>
C07438

> <KEGG_DRUG_ACCESSION>
D05458

> <LINCS_ACCESSION>
LSM-4174

> <WIKIPEDIA_ACCESSION>
Phentermine

$$$$