KEGG   DRUG: Ampreloxetine hydrochloride
Entry
D11689                      Drug                                   
Name
Ampreloxetine hydrochloride (USAN)
Formula
C18H18F3NO. HCl
Exact mass
357.1107
Mol weight
357.80
Structure
Remark
Chemical structure group: DG03081
Efficacy
Serotonin-noradrenaline reuptake inhibitor (SNRI)
Target
SLC6A4 (HTT) [HSA:6532] [KO:K05037]
SLC6A2 (NAT1) [HSA:6530] [KO:K05035]
  Pathway
hsa04721  Synaptic vesicle cycle
hsa04726  Serotonergic synapse
Brite
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC6
    SLC6A2 (NAT1)
     D11689  Ampreloxetine hydrochloride (USAN)
    SLC6A4 (HTT)
     D11689  Ampreloxetine hydrochloride (USAN)
Other DBs
CAS: 1227056-87-2
PubChem: 405226555
LinkDB
KCF data

ATOM        24
            1   C8x C    23.5373  -17.5829
            2   C8x C    23.5373  -18.9839
            3   C8x C    22.3464  -19.6844
            4   C8x C    21.0855  -18.9839
            5   C8y C    21.0855  -17.5829
            6   C8y C    22.3464  -16.8824
            7   C1y C    22.3464  -15.4814
            8   C1x C    21.1555  -14.7808
            9   C1x C    21.1555  -13.3798
            10  N1x N    22.3464  -12.6793
            11  C1x C    23.5373  -13.3798
            12  C1x C    23.5373  -14.7808
            13  C1b C    19.8946  -16.8824
            14  O2a O    18.6337  -17.5829
            15  C8y C    17.4428  -16.8824
            16  C8y C    16.2519  -17.5829
            17  C8x C    14.9910  -16.8824
            18  C8y C    14.9910  -15.4814
            19  C8x C    16.1819  -14.7808
            20  C8y C    17.4428  -15.4814
            21  X   F    18.6337  -14.7808
            22  X   F    13.8001  -14.7808
            23  X   F    16.2519  -18.9839
            24  X   Cl   25.4800  -16.3800
BOND        25
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     6   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13    7  12 1
            14    5  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   15  20 1
            23   20  21 1
            24   18  22 1
            25   16  23 1

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