KEGG   COMPOUND: C01621Help
Entry
C01621                      Compound                               

Name
Tolrestat
Formula
C16H14F3NO3S
Exact mass
357.0646
Mol weight
357.3475
Structure
Mol fileKCF fileDB search
Remark
Same as: D02323
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A10 DRUGS USED IN DIABETES
   A10X OTHER DRUGS USED IN DIABETES
    A10XA Aldose reductase inhibitors
     A10XA01 Tolrestat
      D02323  Tolrestat (USAN/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Dehydrogenases
    AKR1B1
     D02323  Tolrestat (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 82964-04-3
PubChem: 4773
ChEBI: 48549
ChEMBL: CHEMBL436
PDB-CCD: TOL[PDBj]
NIKKAJI: J23.281E
LinkDB All DBs
KCF data Show

ATOM        24
            1   C8y C    21.3580  -15.9097
            2   C8y C    21.3580  -17.2991
            3   C8y C    22.5636  -15.1989
            4   C8x C    20.1461  -15.2181
            5   C8y C    20.1461  -18.0098
            6   C8x C    22.5763  -18.0035
            7   C8x C    23.8135  -15.9097
            8   C2c C    22.5571  -13.8158
            9   C8x C    18.9470  -15.9097
            10  C8y C    18.9470  -17.2991
            11  C1d C    20.1397  -19.3867
            12  C8x C    23.7944  -17.3056
            13  N1c N    23.7500  -13.1243
            14  S0  S    21.3580  -13.1306
            15  O2a O    17.7541  -17.9844
            16  X   F    18.9470  -20.0719
            17  X   F    21.3326  -20.0783
            18  X   F    20.1908  -20.9420
            19  C1b C    25.3045  -13.9744
            20  C1a C    23.7438  -11.6710
            21  C1a C    16.5612  -17.2929
            22  C6a C    26.4847  -13.2638
            23  O6a O    27.6903  -13.9301
            24  O6a O    26.4466  -11.9506
BOND        25
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 2
            9     5  10 2
            10    5  11 1
            11    6  12 2
            12    8  13 1
            13    8  14 2
            14   10  15 1
            15   11  16 1
            16   11  17 1
            17   11  18 1
            18   13  19 1
            19   13  20 1
            20   15  21 1
            21   19  22 1
            22   22  23 1
            23   22  24 2
            24    7  12 1
            25    9  10 1

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