KEGG   DRUG: Reboxetine
Entry
D08472                      Drug                                   
Name
Reboxetine (INN);
Edronax (TN)
Formula
C19H23NO3
Exact mass
313.1678
Mol weight
313.3908
Structure
Simcomp
Class
Neuropsychiatric agent
 DG03085  Selective norepinephrine reuptake inhibitor (NRI)
Remark
ATC code: N06AX18
Chemical structure group: DG00961
Efficacy
Antidepressant, Selective noradrenaline reuptake inhibitor (NRI)
Target
SLC6A2 (NAT1) [HSA:6530] [KO:K05035]
  Pathway
hsa04721  Synaptic vesicle cycle
Interaction
Structure map
map07027  Antidepressants
map07234  Neurotransmitter transporter inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N06 PSYCHOANALEPTICS
   N06A ANTIDEPRESSANTS
    N06AX Other antidepressants
     N06AX18 Reboxetine
      D08472  Reboxetine (INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG03085  Selective norepinephrine reuptake inhibitor (NRI)
   DG00961  Reboxetine
    D08472  Reboxetine
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC6
    SLC6A2 (NAT1)
     D08472  Reboxetine (INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG03085  Selective norepinephrine reuptake inhibitor (NRI)
   DG00961  Reboxetine
Other DBs
PubChem: 96025158
PDB-CCD: 41X[PDBj]
LigandBox: D08472
LinkDB
KCF data

ATOM        23
            1   C8x C    23.5200  -21.4200
            2   C8x C    23.5200  -20.0200
            3   C8y C    24.7800  -19.3200
            4   C8x C    25.9700  -20.0200
            5   C8x C    25.9700  -21.4200
            6   C8x C    24.7800  -22.1200
            7   C1c C    24.7800  -17.9200
            8   C1y C    25.9700  -17.2200
            9   O2a O    23.5200  -17.2200
            10  C8y C    22.3300  -17.9200
            11  O2x O    25.9700  -15.8200
            12  C1x C    27.1600  -15.1200
            13  C1x C    28.4200  -15.8200
            14  N1x N    28.4200  -17.2200
            15  C1x C    27.1600  -17.9200
            16  C8x C    22.3300  -19.3200
            17  C8x C    21.1400  -20.0200
            18  C8x C    19.8800  -19.3200
            19  C8x C    19.8800  -17.9200
            20  C8y C    21.1400  -17.2200
            21  O2a O    21.1400  -15.8200
            22  C1b C    22.3300  -15.1200
            23  C1a C    22.3300  -13.7200
BOND        25
            1    12  13 1
            2    13  14 1
            3    14  15 1
            4    15   8 1
            5     7   3 1 #Up
            6     7   8 1
            7     1   2 2
            8     7   9 1
            9    10  16 2
            10   16  17 1
            11   17  18 2
            12   18  19 1
            13   19  20 2
            14   20  10 1
            15    2   3 1
            16   20  21 1
            17    9  10 1
            18   21  22 1
            19    3   4 2
            20   22  23 1
            21    4   5 1
            22    5   6 2
            23    6   1 1
            24    8  11 1
            25   11  12 1

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KEGG   DRUG: Reboxetine mesylate
Entry
D02573                      Drug                                   
Name
Reboxetine mesylate (USAN);
Reboxetine mesilate;
Vestra (TN)
Formula
C19H23NO3. CH4SO3
Exact mass
409.1559
Mol weight
409.4965
Structure
Simcomp
Class
Neuropsychiatric agent
 DG03085  Selective norepinephrine reuptake inhibitor (NRI)
Remark
ATC code: N06AX18
Chemical structure group: DG00961
Efficacy
Antidepressant, Selective noradrenaline reuptake inhibitor (NRI)
Target
SLC6A2 (NAT1) [HSA:6530] [KO:K05035]
  Pathway
hsa04721  Synaptic vesicle cycle
Interaction
Structure map
map07027  Antidepressants
map07234  Neurotransmitter transporter inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N06 PSYCHOANALEPTICS
   N06A ANTIDEPRESSANTS
    N06AX Other antidepressants
     N06AX18 Reboxetine
      D02573  Reboxetine mesylate (USAN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG03085  Selective norepinephrine reuptake inhibitor (NRI)
   DG00961  Reboxetine
    D02573  Reboxetine mesylate
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC6
    SLC6A2 (NAT1)
     D02573  Reboxetine mesylate (USAN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG03085  Selective norepinephrine reuptake inhibitor (NRI)
   DG00961  Reboxetine
Other DBs
CAS: 98769-84-7
PubChem: 17396744
LigandBox: D02573
LinkDB
KCF data

ATOM        28
            1   C8x C    20.5327  -24.3754
            2   C8x C    20.5327  -22.9740
            3   C8y C    21.7501  -22.2697
            4   C8x C    22.9607  -22.9740
            5   C8x C    22.9607  -24.3754
            6   C8x C    21.7501  -25.0726
            7   C1c C    21.7520  -20.8682
            8   C1y C    22.9674  -20.1725
            9   O2a O    20.5381  -20.1694
            10  C8y C    19.3226  -20.8651
            11  O2x O    22.9635  -18.7772
            12  C1x C    24.1792  -18.0744
            13  C1x C    25.3929  -18.7802
            14  N1x N    25.3911  -20.1816
            15  C1x C    24.1756  -20.8773
            16  C8x C    19.3223  -22.2633
            17  C8x C    18.1138  -22.9661
            18  C8x C    16.9000  -22.2602
            19  C8x C    16.9017  -20.8587
            20  C8y C    18.1173  -20.1630
            21  O2a O    18.1209  -18.7616
            22  C1b C    19.3304  -18.0604
            23  C1a C    19.3340  -16.6590
            24  C1a C    29.8429  -21.2133
            25  S4a S    31.2374  -21.2133
            26  O1d O    31.2303  -22.6078
            27  O1d O    32.6318  -21.2133
            28  O1d O    31.2303  -19.8189
BOND        29
            1    12  13 1
            2    13  14 1
            3    14  15 1
            4    15   8 1
            5     7   3 1 #Up
            6     7   8 1
            7     1   2 2
            8     7   9 1
            9    10  16 2
            10   16  17 1
            11   17  18 2
            12   18  19 1
            13   19  20 2
            14   20  10 1
            15    2   3 1
            16   20  21 1
            17    9  10 1
            18   21  22 1
            19    3   4 2
            20   22  23 1
            21    4   5 1
            22    5   6 2
            23    6   1 1
            24    8  11 1
            25   11  12 1
            26   24  25 1
            27   25  26 2
            28   25  27 1
            29   25  28 2

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