KEGG   DRUG: Pyrovalerone hydrochloride
Entry
D05663                      Drug                                   
Name
Pyrovalerone hydrochloride (USAN)
Formula
C16H23NO. HCl
Exact mass
281.1546
Mol weight
281.82
Structure
Class
Neuropsychiatric agent
 DG03059  Noradrenalin and dopamine reuptake inhibitor (NDRI)
Efficacy
Stimulant (central), Noradrenaline and dopamine reuptake inhibitor
Target
SLC6A2 (NAT1) [HSA:6530] [KO:K05035]
SLC6A3 (DAT1) [HSA:6531] [KO:K05036]
  Pathway
hsa04721  Synaptic vesicle cycle
hsa04728  Dopaminergic synapse
hsa05030  Cocaine addiction
Brite
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG03059  Noradrenalin and dopamine reuptake inhibitor (NDRI)
   D05663  Pyrovalerone hydrochloride
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC6
    SLC6A2 (NAT1)
     D05663  Pyrovalerone hydrochloride (USAN)
    SLC6A3 (DAT1)
     D05663  Pyrovalerone hydrochloride (USAN)
Narcotics and psychotropics in Japan [br08308.html]
 Psychotropics by Cabinet order Article 3 (78 substances)
  D05663
Other DBs
CAS: 1147-62-2
PubChem: 47207324
LigandBox: D05663
NIKKAJI: J473.068B
LinkDB
KCF data

ATOM        19
            1   C8x C    13.7200  -18.7600
            2   C8y C    13.7200  -20.1600
            3   C8x C    14.9324  -20.8600
            4   C8x C    16.1449  -20.1600
            5   C8y C    16.1449  -18.7600
            6   C8x C    14.9324  -18.0600
            7   C1a C    12.5076  -20.8600
            8   C5a C    17.3760  -18.0490
            9   C1c C    18.5812  -18.7447
            10  O5a O    17.3757  -16.6601
            11  C1b C    19.7635  -18.0619
            12  N1y N    18.5816  -20.1596
            13  C1b C    20.9575  -18.7512
            14  C1a C    22.1454  -18.0652
            15  C1x C    17.4287  -20.9983
            16  C1x C    17.8700  -22.3539
            17  C1x C    19.2957  -22.3531
            18  C1x C    19.7355  -20.9970
            19  X   Cl   23.5900  -21.2100
BOND        19
            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     2   7 1
            8     5   8 1
            9     8   9 1
            10    8  10 2
            11    9  11 1
            12    9  12 1
            13   11  13 1
            14   13  14 1
            15   12  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   12  18 1

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