KEGG   COMPOUND: C07246Help
Entry
C07246                      Compound                               

Name
Sertraline
Formula
C17H17Cl2N
Exact mass
305.0738
Mol weight
306.2296
Structure
Mol fileKCF fileDB search
Remark
Same as: D02360
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N06 PSYCHOANALEPTICS
   N06A ANTIDEPRESSANTS
    N06AB Selective serotonin reuptake inhibitors
     N06AB06 Sertraline
      D02360  Sertraline (INN)
USP drug classification [BR:br08302]
 Antidepressants
  SSRIs/SNRIs (Selective Serotonin Reuptake Inhibitors/Serotonin and Norepinephrine Reuptake Inhibitors)
   Sertraline
    D02360  Sertraline (INN)
 Anxiolytics
  SSRIs/SNRIs (Selective Serotonin Reuptake Inhibitors/Serotonin and Norepinephrine Reuptake Inhibitors)
   Sertraline
    D02360  Sertraline (INN)
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC6
    SLC6A4 (HTT)
     D02360  Sertraline (INN)
BRITE hierarchy
Other DBs
CAS: 79617-96-2
PubChem: 9455
ChEBI: 9123
ChEMBL: CHEMBL809
PDB-CCD: SRE[PDBj]
NIKKAJI: J33.072H
LinkDB All DBs
KCF data Show

ATOM        20
            1   C8y C    23.6029  -16.1311
            2   C1y C    24.8135  -16.8412
            3   C8y C    23.6087  -14.7342
            4   C8x C    22.4039  -16.8355
            5   C8y C    24.8078  -18.2381
            6   C1x C    26.0300  -16.1428
            7   C1y C    24.8252  -14.0416
            8   C8x C    22.4039  -14.0357
            9   C8x C    21.1874  -16.1311
            10  C8x C    23.5970  -18.9249
            11  C8x C    26.0241  -18.9366
            12  C1x C    26.0357  -14.7401
            13  N1b N    24.8309  -12.6388
            14  C8x C    21.1874  -14.7342
            15  C8y C    23.5913  -20.3276
            16  C8x C    26.0183  -20.3392
            17  C1a C    26.0474  -11.9404
            18  C8y C    24.8019  -21.0319
            19  X   Cl   22.3748  -21.0260
            20  X   Cl   24.7961  -22.4346
BOND        22
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1 #Up
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     5  10 2
            10    5  11 1
            11    6  12 1
            12    7  13 1 #Up
            13    8  14 1
            14   10  15 1
            15   11  16 2
            16   13  17 1
            17   15  18 2
            18   15  19 1
            19   18  20 1
            20    7  12 1
            21    9  14 2
            22   16  18 1

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