KEGG   COMPOUND: C07196Help
Entry
C07196                      Compound                               

Name
Methylphenidate
Formula
C14H19NO2
Exact mass
233.1416
Mol weight
233.3062
Structure
Mol fileKCF fileDB search
Remark
Same as: D04999
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>
BRITE hierarchy
Other DBs
CAS: 113-45-1
PubChem: 9405
ChEBI: 6887
ChEMBL: CHEMBL796
NIKKAJI: J5.133K
LinkDB All DBs
KCF data Show

ATOM        17
            1   C1c C    26.3252  -18.3927
            2   C8y C    26.3135  -19.7907
            3   C1y C    25.1253  -17.6764
            4   C7a C    27.5485  -17.6997
            5   C8x C    25.0961  -20.4780
            6   C8x C    27.5192  -20.5013
            7   C1x C    23.9080  -18.3637
            8   N1x N    25.1427  -16.2784
            9   O7a O    27.5659  -16.3017
            10  O6a O    28.7542  -18.4160
            11  C8x C    25.1545  -21.8817
            12  C8x C    27.5018  -21.8993
            13  C1x C    22.7022  -17.6531
            14  C1x C    23.9370  -15.5619
            15  C1a C    28.7832  -15.6144
            16  C8x C    26.2785  -22.5923
            17  C1x C    22.7139  -16.2492
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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