1576
  Mrv0541 02231215342D          

 10 10  0  0  1  0            999 V2000
    3.0790    1.7284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.9034    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3645    0.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -1.5716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.5716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.9841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  2  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <DRUGBANK_ID>
DB01576

> <DRUG_GROUPS>
illicit; approved

> <GENERIC_NAME>
Dextroamphetamine

> <SYNONYMS>
(+)-(S)-amphetamine; (S)-amphetamine; d-amphetamine; dexamphetamine; Dextroamphetamine

> <SALTS>
Dextroamphetamine sulfate

> <BRANDS>
Amsustain; Dephadren; Dexacaps; Dexadrine; Dexedrine; Dexidrine; Dextrostat

> <CHEMICAL_FORMULA>
C9H13N

> <MOLECULAR_WEIGHT>
135.2062

> <EXACT_MASS>
135.104799421

> <IUPAC_NAME>
(2S)-1-phenylpropan-2-amine

> <INCHI_IDENTIFIER>
InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m0/s1

> <INCHI_KEY>
InChIKey=KWTSXDURSIMDCE-QMMMGPOBSA-N

> <SMILES>
C[C@H](N)CC1=CC=CC=C1

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_DONOR_COUNT>
1

> <ALOGPS_LOGP>
1.85

> <JCHEM_LOGP>
1.8

> <ALOGPS_LOGS>
-1.9

> <JCHEM_POLARIZABILITY>
16.08

> <JCHEM_POLAR_SURFACE_AREA>
26.02

> <JCHEM_REFRACTIVITY>
43.71

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <ALOGPS_SOLUBILITY>
1.74e+00 g/l

$$$$