KEGG   COMPOUND: C07245Help
Entry
C07245                      Compound                               

Name
Selegiline
Formula
C13H17N
Exact mass
187.1361
Mol weight
187.2808
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
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)
USP drug classification [BR:br08302]
 Antidepressants
  Monoamine Oxidase Inhibitors
   Selegiline
    D03731  Selegiline (USAN/INN)
 Antiparkinson Agents
  Monoamine Oxidase B (MAO-B) Inhibitors
   Selegiline
    D03731  Selegiline (USAN/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases
   monoamine oxidase B (MAO-B)
    Selegiline
     D03731  Selegiline (USAN/INN)
Cytochrome P450 interactions [BR:br08309]
 CYP substrates
  CYP2D6
   Selegiline
    D03731  Selegiline (USAN/INN)
  CYP3A4
   Selegiline
    D03731  Selegiline (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
14611-51-9
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

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

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