Marvin  03100613142D          

 10 10  0  0  0  0            999 V2000
   -0.1480    0.2044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1480   -0.6206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625    0.6169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5665    0.6169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625   -1.0331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5770    0.2044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2809    0.2044    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5770   -0.6206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2809   -0.6206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9954    0.6169    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  7  9  1  1  0  0  0
  7 10  1  0  0  0  0
  6  8  2  0  0  0  0
M  END
> <ID>
CHEBI:4469

> <NAME>
(S)-amphetamine

> <DEFINITION>
A 1-phenylpropan-2-amine that has S configuration.

> <STAR>
3

> <SYNONYM>
Dextroamphetamine; dexamphetamine; d-amphetamine; (S)-amphetamine; (S)-alpha-methylbenzeneethanamine; (S)-1-phenyl-2-propylamine; (S)-1-phenyl-2-aminopropane; (S)-(+)-beta-phenylisopropylamine; (S)-(+)-amphetamine; (alphaS)-alpha-methylbenzeneethanamine; (+)-amphetamine; (+)-alpha-methylphenylethylamine; (+)-alpha-methylphenethylamine; (+)-(S)-amphetamine

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

> <FORMULA>
C9H13N

> <MASS>
135.20626

> <MONOISOTOPIC_MASS>
135.10480

> <CHARGE>
0

> <SMILES>
C[C@H](N)Cc1ccccc1

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

> <INCHIKEY>
KWTSXDURSIMDCE-QMMMGPOBSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
2205872

> <CAS_REGISTRY_NUMBER>
51-64-9

> <GMELIN_REGISTRY_NUMBER>
1125854

> <CHEMIDPLUS>
51-64-9

> <DRUGBANK_ACCESSION>
DB01576

> <KEGG_COMPOUND_ACCESSION>
C07884

> <KEGG_DRUG_ACCESSION>
D03740

> <NIST_CHEMISTRY_WEBBOOK>
51-64-9

> <WIKIPEDIA_ACCESSION>
Dextroamphetamine

> <PUBMED_CITATION>
22129527; 22894820; 23360956; 23851485; 23881044; 23907377; 24349338

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