Esomeprazole magnesium dihydrate

Entry

D11114                      Drug

Name

Esomeprazole magnesium dihydrate

Product

Generic

ESOMEPRAZOLE MAGNEISUM D/R (Direct_Rx), ESOMEPRAZOLE MAGNESIUM (A-S Medication Solutions), ESOMEPRAZOLE MAGNESIUM (A-S Medication Solutions), ESOMEPRAZOLE MAGNESIUM (Advanced Rx Pharmacy of Tennessee), ESOMEPRAZOLE MAGNESIUM (Ascend Laboratories), ESOMEPRAZOLE MAGNESIUM (Aurobindo Pharma Limited), ESOMEPRAZOLE MAGNESIUM (Bryant Ranch Prepack), ESOMEPRAZOLE MAGNESIUM (Bryant Ranch Prepack), ESOMEPRAZOLE MAGNESIUM (Bryant Ranch Prepack), ESOMEPRAZOLE MAGNESIUM (Bryant Ranch Prepack), ESOMEPRAZOLE MAGNESIUM (Bryant Ranch Prepack), ESOMEPRAZOLE MAGNESIUM (Bryant Ranch Prepack), ESOMEPRAZOLE MAGNESIUM (Bryant Ranch Prepack), ESOMEPRAZOLE MAGNESIUM (Cadila Healthcare Limited), ESOMEPRAZOLE MAGNESIUM (Camber Pharmaceuticals), ESOMEPRAZOLE MAGNESIUM (Cipla USA), ESOMEPRAZOLE MAGNESIUM (Cipla USA), ESOMEPRAZOLE MAGNESIUM (DIRECT RX), ESOMEPRAZOLE MAGNESIUM (DirectRX), ESOMEPRAZOLE MAGNESIUM (Glenmark Pharmaceuticals), ESOMEPRAZOLE MAGNESIUM (Lannett Company), ESOMEPRAZOLE MAGNESIUM (Medsource Pharmaceuticals), ESOMEPRAZOLE MAGNESIUM (NCS HealthCare of KY), ESOMEPRAZOLE MAGNESIUM (NuCare Pharmaceuticals), ESOMEPRAZOLE MAGNESIUM (NuCare Pharmaceuticals), ESOMEPRAZOLE MAGNESIUM (NuCare Pharmaceuticals), ESOMEPRAZOLE MAGNESIUM (NuCare Pharmaceuticals), ESOMEPRAZOLE MAGNESIUM (NuCare Pharmaceuticals), ESOMEPRAZOLE MAGNESIUM (NuCare Pharmaceuticals), ESOMEPRAZOLE MAGNESIUM (NuCare Pharmaceuticals), ESOMEPRAZOLE MAGNESIUM (NuCare Pharmaceuticals), ESOMEPRAZOLE MAGNESIUM (NuCare Pharmaceuticals), ESOMEPRAZOLE MAGNESIUM (Preferred Pharmaceuticals), ESOMEPRAZOLE MAGNESIUM (QPharma), ESOMEPRAZOLE MAGNESIUM (Quality Care Products), ESOMEPRAZOLE MAGNESIUM (St. Mary's Medical Park Pharmacy), ESOMEPRAZOLE MAGNESIUM (Teva Pharmaceuticals USA), ESOMEPRAZOLE MAGNESIUM (Zydus Pharmaceuticals (USA)), ESOMEPRAZOLE MAGNESIUM (medsourcer pharmaceuticals)

Formula

(C17H18N3O3S)2. 2H2O. Mg

Exact mass

748.2199

Mol weight

749.1518

Structure

Simcomp

Class

Gastrointestinal agent
DG01975  Agents for peptic ulcer
  DG01646  Proton pump inhibitor (PPI)
Metabolizing enzyme substrate
DG01639  CYP2C19 substrate
DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate

Remark

ATC code:

A02BC05

Chemical structure group:

DG00023

Product (DG00023):

D01984<JP/US> D04056<US> D10120<US> D11114<US>

Product (mixture):

D11576<US>

Efficacy

Antisecretory (gastric acid), Anti-ulcerative, Proton pump inhibitor

Disease

Gastroesophageal reflux disease [DS:H01602]
Gastric ulcer [DS:H01634]
H. pylori eradication [DS:H00320]
Zollinger-Ellison syndrome [DS:H01522]

Comment

Benzimidazole derivative

Target

ATP4 [HSA:495 496] [KO:K01542 K01543]

Pathway

hsa04966

Collecting duct acid secretion

hsa04971

Gastric acid secretion

Metabolism

Enzyme: CYP2C19 [HSA:1557]; CYP3A4 [HSA:1576]

Interaction

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
     A02BC05 Esomeprazole
      D11114  Esomeprazole magnesium dihydrate <US>
USP drug classification [BR:br08302]
Gastrointestinal Agents
  Proton Pump Inhibitors
   Esomeprazole
    D11114  Esomeprazole magnesium dihydrate
Drug groups [BR:br08330]
Gastrointestinal agent
  DG01975  Agents for peptic ulcer
   DG01646  Proton pump inhibitor (PPI)
    DG00023  Esomeprazole
     D11114  Esomeprazole magnesium dihydrate
Metabolizing enzyme substrate
  DG01639  CYP2C19 substrate
   DG00023  Esomeprazole
    D11114  Esomeprazole magnesium dihydrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00023  Esomeprazole
     D11114  Esomeprazole magnesium dihydrate
Drug classes [BR:br08332]
Gastrointestinal agent
  DG01646  Proton pump inhibitor (PPI)
   D11114  Esomeprazole magnesium dihydrate
Target-based classification of drugs [BR:br08310]
Enzymes
  Hydrolases (EC3)
   ATPase
    ATP4
     D11114  Esomeprazole magnesium dihydrate <US>
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
  D11114
Drug groups [BR:br08330]
Gastrointestinal agent
  DG01975  Agents for peptic ulcer
   DG01646  Proton pump inhibitor (PPI)
    DG00023  Esomeprazole
Metabolizing enzyme substrate
  DG01639  CYP2C19 substrate
   DG00023  Esomeprazole
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00023  Esomeprazole

Other DBs

CAS:	217087-10-0

PubChem:

376219038

KCF data

ATOM        51
            1   C8x C    11.4100  -14.3500
            2   C8y C    11.4100  -15.7500
            3   C8x C    12.6700  -16.4500
            4   C8x C    12.6700  -13.6500
            5   C8y C    13.8600  -14.3500
            6   C8y C    13.8600  -15.7500
            7   N5x N    15.1900  -16.2400
            8   C8y C    16.0300  -15.1200
            9   N4x N    15.1900  -13.9300 #-
            10  S4a S    17.4300  -15.1200
            11  C1b C    18.1300  -16.3800
            12  C8y C    19.5300  -16.3800
            13  C8y C    20.2300  -17.5700
            14  C8y C    21.6300  -17.5700
            15  C8y C    22.3300  -16.3800
            16  C8x C    21.6300  -15.1200
            17  N5x N    20.2300  -15.1200
            18  C1a C    23.7300  -16.3800
            19  O2a O    22.3300  -18.7600
            20  C1a C    23.7300  -18.7600
            21  C1a C    19.5300  -18.7600
            22  O3c O    18.1300  -13.9300
            23  O2a O    10.2200  -16.4500
            24  C1a C     9.0300  -15.7500
            25  Z   Mg   27.7900  -14.7000 #2+
            26  O0  O    29.1200  -17.0800
            27  C8x C    11.4100  -14.3500
            28  C8x C    12.6700  -13.6500
            29  C8y C    13.8600  -14.3500
            30  C8y C    13.8600  -15.7500
            31  C8x C    12.6700  -16.4500
            32  C8y C    11.4100  -15.7500
            33  O2a O    10.2200  -16.4500
            34  C1a C     9.0300  -15.7500
            35  N5x N    15.1900  -16.2400
            36  C8y C    16.0300  -15.1200
            37  S4a S    17.4300  -15.1200
            38  C1b C    18.1300  -16.3800
            39  C8y C    19.5300  -16.3800
            40  C8y C    20.2300  -17.5700
            41  C8y C    21.6300  -17.5700
            42  C8y C    22.3300  -16.3800
            43  C8x C    21.6300  -15.1200
            44  N5x N    20.2300  -15.1200
            45  C1a C    23.7300  -16.3800
            46  O2a O    22.3300  -18.7600
            47  C1a C    23.7300  -18.7600
            48  C1a C    19.5300  -18.7600
            49  O3c O    18.1300  -13.9300
            50  N4x N    15.1900  -13.9300 #-
            51  O0  O    29.1200  -17.0800
BOND        52
            1     2   3 1
            2    23  24 1
            3     8  10 1
            4     3   6 2
            5    10  11 1 #Up
            6     5   4 2
            7    11  12 1
            8     4   1 1
            9    12  13 2
            10   13  14 1
            11   14  15 2
            12   15  16 1
            13   16  17 2
            14   17  12 1
            15    1   2 2
            16   15  18 1
            17    5   6 1
            18   14  19 1
            19    6   7 1
            20   19  20 1
            21    7   8 2
            22   13  21 1
            23    8   9 1
            24   10  22 2
            25    9   5 1
            26    2  23 1
            27   32  31 1
            28   33  34 1
            29   36  37 1
            30   31  30 2
            31   37  38 1 #Up
            32   29  28 2
            33   38  39 1
            34   28  27 1
            35   39  40 2
            36   40  41 1
            37   41  42 2
            38   42  43 1
            39   43  44 2
            40   44  39 1
            41   27  32 2
            42   42  45 1
            43   29  30 1
            44   41  46 1
            45   30  35 1
            46   46  47 1
            47   35  36 2
            48   40  48 1
            49   36  50 1
            50   37  49 2
            51   50  29 1
            52   32  33 1
BRACKET     1     7.4200  -19.7400    7.4200  -12.6700
            1    25.1300  -12.6700   25.1300  -19.7400
            1  2
ORIGINAL  1    1   4   5   6   3   2  23  24   7   8  10  11  12  13  14  15
            1   16  17  18  19  20  21  22   9
REPEAT    1   27  28  29  30  31  32  33  34  35  36  37  38  39  40  41  42
            1   43  44  45  46  47  48  49  50
            2    27.2300  -17.9900   27.2300  -16.1000
            2    29.5400  -16.1000   29.5400  -17.9900
            2  2
ORIGINAL  2   26
REPEAT    2   51