KEGG   COMPOUND: C07245
Entry
C07245                      Compound                               
Name
Selegiline
Formula
C13H17N
Exact mass
187.1361
Mol weight
187.2808
Structure
Remark
Same as: D03731
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N04 ANTI-PARKINSON DRUGS
   N04B DOPAMINERGIC AGENTS
    N04BD Monoamine oxidase B inhibitors
     N04BD01 Selegiline
      D03731  Selegiline (USAN/INN) <US>
USP drug classification [BR:br08302]
 Antidepressants
  Monoamine Oxidase Inhibitors
   Selegiline
    D03731  Selegiline (USAN/INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01568  MAO inhibitor
   DG01512  Monoamine oxidase B inhibitor
    DG00864  Selegiline
     D03731  Selegiline
  DG01967  Antiparkinson agent
   DG00864  Selegiline
    D03731  Selegiline
 Metabolizing enzyme substrate
  DG01638  CYP2A6 substrate
   DG00864  Selegiline
    D03731  Selegiline
  DG02919  CYP2B6 substrate
   DG00864  Selegiline
    D03731  Selegiline
  DG01644  CYP2D6 substrate
   DG00864  Selegiline
    D03731  Selegiline
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00864  Selegiline
     D03731  Selegiline
Drug classes [BR:br08332]
 Neuropsychiatric agent
  DG01967  Antiparkinson agent
   D03731  Selegiline
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Amine oxidases
    MAOB
     D03731  Selegiline (USAN/INN) <US>
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D03731
Narcotics and psychotropics in Japan [br08308.html]
 Stimulants by Control Act Article 2 Appended Table and Cabinet Order
  D03731
Other DBs
CAS: 14611-51-9
PubChem: 9454
ChEBI: 9086
NIKKAJI: J34.132K
KCF data

ATOM        14
            1   C8y C    21.8250  -16.4810
            2   C1b C    23.0324  -15.7870
            3   C8x C    21.8250  -17.8865
            4   C8x C    20.6120  -15.7811
            5   C1c C    24.2339  -16.4926
            6   C8x C    20.6120  -18.5864
            7   C8x C    19.3930  -16.4810
            8   N1c N    24.2339  -17.8982
            9   C1a C    25.4470  -15.7986
            10  C8x C    19.3930  -17.8865
            11  C1b C    25.4412  -18.5864
            12  C1a C    23.0207  -18.5923
            13  C3b C    26.6543  -17.8865
            14  C3a C    27.7969  -17.0782
BOND        14
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     3   6 2
            6     4   7 1
            7     5   8 1 #Up
            8     5   9 1
            9     6  10 1
            10    8  11 1
            11    8  12 1
            12   11  13 1
            13   13  14 3
            14    7  10 2

» Japanese version

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Drug (1)   
   KEGG DRUG (1)   
Chemical substance (4)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   NIKKAJI (1)   
All databases (5)   

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