KEGG   COMPOUND: C07864
Entry
C07864                      Compound                               
Name
Rabeprazole
Formula
C18H21N3O3S
Exact mass
359.1304
Mol weight
359.44
Structure
Remark
Same as: D08463
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
     A02BC04 Rabeprazole
      D08463  Rabeprazole (INN)
Drug groups [BR:br08330]
 Gastrointestinal agent
  DG01975  Agents for peptic ulcer
   DG01646  Proton pump inhibitor (PPI)
    DG00022  Rabeprazole
     D08463  Rabeprazole
 Metabolizing enzyme substrate
  DG01639  CYP2C19 substrate
   DG00022  Rabeprazole
    D08463  Rabeprazole
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00022  Rabeprazole
     D08463  Rabeprazole
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   ATPase
    ATP4
     D08463  Rabeprazole (INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D08463
Other DBs
CAS: 117976-89-3
PubChem: 10066
ChEBI: 8768
NIKKAJI: J395.966J
LinkDB
KCF data

ATOM        25
            1   C8x C    16.8700  -17.6400
            2   C8x C    16.8700  -19.0400
            3   C8x C    18.0600  -19.7400
            4   C8y C    19.2500  -19.0400
            5   C8y C    19.2500  -17.6400
            6   C8x C    18.0600  -16.9400
            7   N5x N    20.5800  -19.4600
            8   C8y C    21.4200  -18.3400
            9   N4x N    20.5800  -17.2200
            10  S4a S    22.8200  -18.3400
            11  C1b C    23.5200  -19.6000
            12  O3c O    23.5200  -17.1500
            13  C8y C    24.9200  -19.6000
            14  C8y C    25.6200  -20.7900
            15  C8y C    27.0200  -20.7900
            16  C8x C    27.7200  -19.5300
            17  C8x C    27.0200  -18.3400
            18  N5x N    25.6200  -18.3400
            19  C1a C    24.9200  -21.9800
            20  O2a O    27.7200  -21.9800
            21  C1b C    29.1200  -21.9800
            22  C1b C    29.8200  -23.1700
            23  C1b C    31.2200  -23.1700
            24  O2a O    31.9200  -24.3600
            25  C1a C    33.3200  -24.3600
BOND        27
            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   11  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   13  18 1
            21   14  19 1
            22   15  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 1

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