KEGG   DRUG: Dexmethylphenidate
Entry
D07806                      Drug                                   

Name
Dexmethylphenidate (INN)
Formula
C14H19NO2
Exact mass
233.1416
Mol weight
233.3062
Structure
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
hsa04721  Synaptic vesicle cycle
hsa04726  Serotonergic synapse
hsa04728  Dopaminergic synapse
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)
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)
Other DBs
CAS: 40431-64-9
PubChem: 96024503
ChEMBL: CHEMBL827
LigandBox: D07806
LinkDB
KCF data

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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