KEGG   DRUG: Toludesvenlafaxine hydrochloride
Entry
D11941                      Drug                                   
Name
Toludesvenlafaxine hydrochloride (USAN)
Formula
C24H31NO3. 2H2O. HCl
Exact mass
453.2282
Mol weight
454.00
Structure
Remark
Chemical structure group: DG03141
Efficacy
Antidepressant, Serotonin-noradrenaline reuptake inhibitor (SNRI)
Comment
Treatment of depression
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)
     D11941  Toludesvenlafaxine hydrochloride (USAN)
    SLC6A4 (HTT)
     D11941  Toludesvenlafaxine hydrochloride (USAN)
Other DBs
CAS: 2137075-66-0
PubChem: 497620354
LinkDB
KCF data

ATOM        31
            1   C8x C    16.9069  -17.1175
            2   C8y C    16.9069  -18.5907
            3   C8x C    18.0293  -19.2922
            4   C8x C    19.2219  -18.5907
            5   C8y C    19.2219  -17.1175
            6   C8x C    18.0293  -16.4160
            7   C1x C    21.6773  -18.5907
            8   C1z C    21.6773  -17.1175
            9   C1c C    20.4145  -16.4160
            10  C1x C    22.8699  -19.2922
            11  C1x C    24.0625  -18.5907
            12  C1x C    24.0625  -17.1175
            13  C1x C    22.8699  -16.4160
            14  O7a O    15.7143  -19.2922
            15  O1a O    21.6773  -15.7846
            16  C1b C    20.4145  -15.0830
            17  N1c N    19.1518  -14.4517
            18  C1a C    17.9592  -15.1532
            19  C1a C    19.1518  -12.9785
            20  C7a C    14.4515  -18.5907
            21  O6a O    13.2589  -19.3624
            22  C8y C    14.4515  -17.1876
            23  C8x C    15.6441  -16.4861
            24  C8x C    15.6441  -15.0830
            25  C8y C    14.4515  -14.3815
            26  C8x C    13.2589  -15.0830
            27  C8x C    13.2589  -16.4861
            28  C1a C    14.4515  -12.9785
            29  X   Cl   26.5300  -14.0700
            30  O0  O    27.0200  -16.6600
            31  O0  O    27.0200  -16.6600
BOND        30
            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     7   8 1
            8     8   9 1
            9     5   9 1
            10    7  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14    8  13 1
            15    2  14 1
            16    8  15 1
            17    9  16 1
            18   16  17 1
            19   17  18 1
            20   17  19 1
            21   14  20 1
            22   20  21 2
            23   20  22 1
            24   22  23 2
            25   23  24 1
            26   24  25 2
            27   25  26 1
            28   26  27 2
            29   22  27 1
            30   25  28 1
BRACKET     1    25.2000  -17.4300   25.2000  -15.8900
            1    27.7200  -15.8900   27.7200  -17.4300
            1  2
 ORIGINAL  1   30
 REPEAT    1   31

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