KEGG   DRUG: Methylphenidate
Entry
D04999                      Drug                                   
Name
Methylphenidate (USAN/INN);
Daytrana (TN)
Product
  Generic
Formula
C14H19NO2
Exact mass
233.1416
Mol weight
233.3062
Structure
Simcomp
Remark
Same as: C07196
ATC code: N06BA04
Chemical structure group: DG00969
Product (DG00969): D04999<US> D01296<JP/US>
Efficacy
Stimulant (central)
  Disease
Attention deficit hyperactivity disorder [DS:H01895]
Comment
piperidine derivative
Target
SLC6A3 (DAT1) [HSA:6531] [KO:K05036]
SLC6A2 (NAT1) [HSA:6530] [KO:K05035]
  Pathway
hsa04721  Synaptic vesicle cycle
hsa04728  Dopaminergic synapse
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N06 PSYCHOANALEPTICS
   N06B PSYCHOSTIMULANTS, AGENTS USED FOR ADHD AND NOOTROPICS
    N06BA Centrally acting sympathomimetics
     N06BA04 Methylphenidate
      D04999  Methylphenidate (USAN/INN) <US>
USP drug classification [BR:br08302]
 Central Nervous System Agents
  Attention Deficit Hyperactivity Disorder Agents, Non-amphetamines
   Methylphenidate
    D04999  Methylphenidate (USAN/INN)
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC6
    SLC6A2 (NAT1)
     D04999  Methylphenidate (USAN/INN) <US>
    SLC6A3 (DAT1)
     D04999  Methylphenidate (USAN/INN) <US>
Narcotics and psychotropics in Japan [br08308.html]
 Psychotropics by Control Act Article 2 Table 31 (10 substances)
  D04999
Other DBs
CAS: 113-45-1
PubChem: 47206727
ChEBI: 6887
LigandBox: D04999
NIKKAJI: J5.133K
KCF data

ATOM        17
            1   C1c C    24.3131  -18.3693
            2   C8y C    24.3014  -19.7673
            3   C1y C    23.1133  -17.6530
            4   C7a C    25.5364  -17.6763
            5   C8x C    23.0840  -20.4546
            6   C8x C    25.5072  -20.4779
            7   C1x C    21.8959  -18.3403
            8   N1x N    23.1307  -16.2550
            9   O7a O    25.5538  -16.2783
            10  O6a O    26.7421  -18.3926
            11  C8x C    23.0724  -21.8583
            12  C8x C    25.4898  -21.8759
            13  C1x C    20.6902  -17.6296
            14  C1x C    21.9249  -15.5385
            15  C1a C    26.7712  -15.5910
            16  C8x C    24.2665  -22.5689
            17  C1x C    20.7018  -16.2258
BOND        18
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     4  10 2
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13    8  14 1
            14    9  15 1
            15   11  16 2
            16   13  17 1
            17   12  16 1
            18   14  17 1

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