KEGG   COMPOUND: C07324
Entry
C07324                      Compound                               
Name
Omeprazole
Formula
C17H19N3O3S
Exact mass
345.1147
Mol weight
345.42
Structure
Remark
Same as: D00455
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
     A02BC01 Omeprazole
      D00455  Omeprazole (JP18/USP/INN) <JP/US>
USP drug classification [BR:br08302]
 Gastrointestinal Agents
  Proton Pump Inhibitors
   Omeprazole
    D00455  Omeprazole (JP18/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  23  Digestive organ agents
   232  Peptic ulcer agents
    2329  Others
     D00455  Omeprazole (JP18/USP/INN)
Drug groups [BR:br08330]
 Gastrointestinal agent
  DG01975  Agents for peptic ulcer
   DG01646  Proton pump inhibitor (PPI)
    DG00020  Omeprazole
     D00455  Omeprazole
 Metabolizing enzyme substrate
  DG01639  CYP2C19 substrate
   DG00020  Omeprazole
    D00455  Omeprazole
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00020  Omeprazole
     D00455  Omeprazole
Drug classes [BR:br08332]
 Gastrointestinal agent
  DG01646  Proton pump inhibitor (PPI)
   D00455  Omeprazole
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   ATPase
    ATP4
     D00455  Omeprazole (JP18/USP/INN) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00455  Omeprazole
  D00455  Omeprazole enteric-coated tablets
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00455
Pharmacogenomic biomarkers [br08341.html]
 Polymorphisms and mutations affecting drug response
  D00455
Rx-to-OTC switch list in the USA [br08315.html]
 D00455
Other DBs
CAS: 73590-58-6
PubChem: 9532
ChEBI: 77260 7772
NIKKAJI: J33.884B
KCF data

ATOM        24
            1   C8x C    22.6800  -19.3200
            2   C8y C    22.6800  -20.7200
            3   C8x C    23.8700  -21.4200
            4   C8y C    25.0600  -20.7200
            5   C8y C    25.0600  -19.3200
            6   C8x C    23.8700  -18.6200
            7   N5x N    26.3900  -21.1400
            8   C8y C    27.2300  -20.0200
            9   N4x N    26.3900  -18.9000
            10  S4a S    28.6300  -20.0200
            11  O2a O    21.4200  -21.4200
            12  C1a C    20.2300  -20.7200
            13  C1b C    29.3300  -21.2100
            14  O3c O    29.3300  -18.8300
            15  C8y C    30.7300  -21.2100
            16  C8y C    31.4300  -22.4000
            17  C8y C    32.8300  -22.4000
            18  C8y C    33.5300  -21.2100
            19  C8x C    32.8300  -20.0200
            20  N5x N    31.4300  -20.0200
            21  C1a C    34.9300  -21.2100
            22  O2a O    33.5300  -23.6600
            23  C1a C    34.9300  -23.6600
            24  C1a C    30.7300  -23.5900
BOND        26
            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    2  11 1
            13   11  12 1
            14   10  13 1
            15   10  14 2
            16   13  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   15  20 1
            23   18  21 1
            24   17  22 1
            25   22  23 1
            26   16  24 1

» Japanese version

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Chemical substance (12)   
   PubChem (1)   
   ChEBI (2)   
   HMDB (1)   
   HSDB (1)   
   MASSBANK (6)   
   NIKKAJI (1)   
All databases (12)   

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