Ketcher 06141817162D 1   1.00000     0.00000     0

 11 11  0     1  0            999 V2000
   17.4168  -15.0350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4168  -16.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3100  -16.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1535  -16.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1535  -15.0350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3100  -14.5388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0467  -14.4892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8903  -14.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0467  -13.4968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7338  -14.5388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.8903  -16.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  2  3  1  0     0  0
  3  4  2  0     0  0
  4  5  1  0     0  0
  5  6  2  0     0  0
  1  6  1  0     0  0
  7  5  1  0     0  0
  7  8  1  0     0  0
  7  9  1  1     0  0
  8 10  1  6     0  0
  8 11  1  0     0  0
M  END
> <ID>
CHEBI:8104

> <NAME>
phenylpropanolamine

> <DEFINITION>
An amphetamine in which the parent 1-phenylpropan-2-amine skeleton is substituted at position 1 with an hydroxy group. A decongestant and appetite suppressant, it is commonly used in prescription and over-the-counter cough and cold preparations.

> <STAR>
3

> <SYNONYM>
PPA; norephedrine; beta-hydroxyamphetamine

> <IUPAC_NAME>
(1R,2R)-2-amino-1-phenylpropan-1-ol

> <INN>
phenylpropanolaminum; phenylpropanolamine; phenylpropanolamine; fenilpropanolamina

> <FORMULA>
C9H13NO

> <MASS>
151.206

> <MONOISOTOPIC_MASS>
151.09971

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/t7-,9+/m1/s1

> <INCHIKEY>
DLNKOYKMWOXYQA-APPZFPTMSA-N

> <CAS_REGISTRY_NUMBER>
14838-15-4

> <REAXYS_REGISTRY_NUMBER>
3196918

> <CHEMIDPLUS>
14838-15-4

> <KEGG_DRUG_ACCESSION>
D08368

> <PUBMED_CITATION>
29438107

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