KEGG   COMPOUND: C11806
Entry
C11806                      Compound                               
Name
Pantoprazole
Formula
C16H15F2N3O4S
Exact mass
383.0751
Mol weight
383.3698
Structure
Remark
Same as: D05353
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A02 DRUGS FOR ACID RELATED DISORDERS
   A02B DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
    A02BC Proton pump inhibitors
     A02BC02 Pantoprazole
      D05353  Pantoprazole (USAN/INN)
Drug groups [BR:br08330]
 Gastrointestinal agent
  DG01975  Agents for peptic ulcer
   DG01646  Proton pump inhibitor (PPI)
    DG00021  Pantoprazole
     D05353  Pantoprazole
 Metabolizing enzyme substrate
  DG01639  CYP2C19 substrate
   DG00021  Pantoprazole
    D05353  Pantoprazole
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00021  Pantoprazole
     D05353  Pantoprazole
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   ATPase
    ATP4
     D05353  Pantoprazole (USAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D05353
Other DBs
CAS: 102625-70-7
PubChem: 13970
ChEBI: 7915
NIKKAJI: J324.079G
KCF data

ATOM        26
            1   C8x C    20.7900  -18.2700
            2   C8y C    20.7900  -19.6700
            3   C8x C    21.9800  -20.3700
            4   C8y C    23.1700  -19.6700
            5   C8y C    23.1700  -18.2700
            6   C8x C    21.9800  -17.5700
            7   N5x N    24.5700  -20.0900
            8   C8y C    25.3400  -18.9700
            9   N4x N    24.5700  -17.8500
            10  S4a S    26.7400  -18.9700
            11  C1b C    27.4400  -20.2300
            12  O3c O    27.4400  -17.7800
            13  O2a O    19.5300  -20.3700
            14  C1c C    18.3400  -19.6700
            15  X   F    17.1500  -20.3700
            16  X   F    18.3400  -18.2700
            17  C8y C    28.8400  -20.2300
            18  C8y C    29.5400  -21.4200
            19  C8y C    30.9400  -21.4200
            20  C8x C    31.6400  -20.1600
            21  C8x C    30.9400  -18.9700
            22  N5x N    29.5400  -18.9700
            23  O2a O    28.8400  -22.6100
            24  C1a C    27.4400  -22.6100
            25  O2a O    31.6400  -22.6100
            26  C1a C    33.0400  -22.6100
BOND        28
            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     4   7 1
            8     7   8 2
            9     8   9 1
            10    5   9 1
            11    8  10 1
            12   10  11 1
            13   10  12 2
            14    2  13 1
            15   13  14 1
            16   14  15 1
            17   14  16 1
            18   11  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24   17  22 1
            25   18  23 1
            26   23  24 1
            27   19  25 1
            28   25  26 1

» Japanese version

DBGET integrated database retrieval system