KEGG   DRUG: D10055Help
Entry
D10055                      Drug                                   

Name
Remogliflozin etabonate (USAN/INN)
Formula
C26H38N2O9
Exact mass
522.2577
Mol weight
522.5879
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of type 2 diabetes [DS:H00409]
Target
sodium glucose co-transporter2 (SGLT2) inhibitor [HSA:6524] [KO:K14382]
Brite
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC5
    SLC5A2 [HSA:6524] [KO:K14382]
     Remogliflozin
      D10055  Remogliflozin etabonate (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
442201-24-3
PubChem: 
LigandBox: 
LinkDB All DBs
KCF data Show

ATOM        37
            1   C1y C    15.8200  -24.7100
            2   C1y C    15.8200  -26.1100
            3   C1y C    17.0100  -26.8100
            4   C1y C    18.2700  -26.1100
            5   O2x O    18.2700  -24.7100
            6   C1y C    17.0100  -24.0100
            7   C1b C    17.0100  -22.6100
            8   O1a O    14.6300  -26.8100
            9   O2a O    19.4600  -26.8100
            10  O7a O    15.8200  -21.9100
            11  O1a O    14.6300  -24.0100
            12  O1a O    17.0100  -28.2100
            13  C7a C    15.8200  -20.5100
            14  O6a O    17.0100  -19.8100
            15  O7a O    14.6300  -19.8100
            16  C8y C    20.6500  -26.1100
            17  C8y C    21.7700  -26.9500
            18  C8y C    22.8900  -26.1800
            19  N4y N    22.4700  -24.8500
            20  N5x N    21.1400  -24.8500
            21  C1b C    13.4400  -20.5100
            22  C1a C    12.2500  -19.8100
            23  C1b C    21.7700  -28.3500
            24  C8y C    22.9600  -29.1200
            25  C8x C    22.9600  -30.5200
            26  C8x C    24.1500  -31.2200
            27  C8y C    25.3400  -30.5900
            28  C8x C    25.3400  -29.1200
            29  C8x C    24.2200  -28.4200
            30  O2a O    26.6000  -31.2900
            31  C1c C    27.7900  -30.5200
            32  C1a C    28.9800  -31.2200
            33  C1a C    27.7900  -29.1200
            34  C1a C    24.0800  -26.8800
            35  C1c C    23.6600  -24.1500
            36  C1a C    24.8500  -24.8500
            37  C1a C    23.6600  -22.7500
BOND        39
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     6   7 1 #Up
            8     2   8 1 #Up
            9     4   9 1 #Up
            10    7  10 1
            11    1  11 1 #Down
            12    3  12 1 #Down
            13   10  13 1
            14   13  14 2
            15   13  15 1
            16    9  16 1
            17   16  17 1
            18   17  18 2
            19   18  19 1
            20   19  20 1
            21   16  20 2
            22   15  21 1
            23   21  22 1
            24   17  23 1
            25   23  24 1
            26   24  25 2
            27   25  26 1
            28   26  27 2
            29   27  28 1
            30   28  29 2
            31   24  29 1
            32   27  30 1
            33   30  31 1
            34   31  32 1
            35   31  33 1
            36   18  34 1
            37   19  35 1
            38   35  36 1
            39   35  37 1

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