KEGG   DRUG: DexmethylphenidateHelp
Entry
D07806                      Drug                                   

Name
Dexmethylphenidate (INN)
Formula
C14H19NO2
Exact mass
233.1416
Mol weight
233.3062
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01970  Agents for ADHD
Remark
ATC code: N06BA11
Chemical structure group: DG00972
Product (DG00972): D03721<US>
Efficacy
Stimulant (central)
Target
SLC6A2 (NAT1) [HSA:6530] [KO:K05035]
SLC6A3 (DAT1) [HSA:6531] [KO:K05036]
SLC6A4 (HTT) [HSA:6532] [KO:K05037]
  Pathway
hsa04726  Serotonergic synapse
hsa04728  Dopaminergic synapse
Interaction
Drug 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
     N06BA11 Dexmethylphenidate
      D07806  Dexmethylphenidate (INN)
USP drug classification [BR:br08302]
 Central Nervous System Agents
  Attention Deficit Hyperactivity Disorder Agents, Non- amphetamines
   Dexmethylphenidate
    D07806  Dexmethylphenidate (INN)
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC6
    SLC6A2 (NAT1)
     D07806  Dexmethylphenidate (INN)
    SLC6A3 (DAT1)
     D07806  Dexmethylphenidate (INN)
    SLC6A4 (HTT)
     D07806  Dexmethylphenidate (INN)
BRITE hierarchy
Other DBs
CAS: 40431-64-9
PubChem: 96024503
ChEMBL: CHEMBL827
LigandBox: D07806
LinkDB All DBs
KCF data Show

ATOM        17
            1   C1c C    24.7100  -17.2200
            2   C1y C    23.5200  -16.5200
            3   C7a C    25.9700  -16.5900
            4   C1x C    22.3300  -17.2200
            5   N1x N    23.5200  -15.1200
            6   O7a O    25.9700  -15.1900
            7   O6a O    27.1600  -17.2900
            8   C1x C    21.1400  -16.5200
            9   C1x C    22.3300  -14.4200
            10  C1a C    27.1600  -14.4900
            11  C1x C    21.1400  -15.1200
            12  C8y C    24.7100  -18.6200
            13  C8x C    23.5200  -19.3200
            14  C8x C    25.9000  -19.3900
            15  C8x C    23.5200  -20.7200
            16  C8x C    25.9000  -20.7900
            17  C8x C    24.7100  -21.4200
BOND        18
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     2   5 1
            5     3   6 1
            6     3   7 2
            7     4   8 1
            8     5   9 1
            9     6  10 1
            10    8  11 1
            11    9  11 1
            12   12  13 2
            13   12  14 1
            14   13  15 1
            15   14  16 2
            16   15  17 2
            17   16  17 1
            18    1  12 1 #Down

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