Esomeprazole magnesium

Entry

D01984                      Drug

Name

Esomeprazole magnesium (USP);
Esomeprazole magnesium hydrate (JAN);
Esomeprazole magnesium trihydrate;
Nexium (TN)

Product

NEXIUM (AstraZeneca Pharmaceuticals LP), NEXIUM (REMEDYREPACK)

Generic

ESOMEPRAZOLE MAGNESIUM (A-S Medication Solutions), ESOMEPRAZOLE MAGNESIUM (A-S Medication Solutions), ESOMEPRAZOLE MAGNESIUM (A-S Medication Solutions), ESOMEPRAZOLE MAGNESIUM (A-S Medication Solutions), ESOMEPRAZOLE MAGNESIUM (A-S Medication Solutions), ESOMEPRAZOLE MAGNESIUM (A-S Medication Solutions), ESOMEPRAZOLE MAGNESIUM (Advanced Rx Pharmacy of Tennessee), ESOMEPRAZOLE MAGNESIUM (Amneal Pharmaceuticals LLC), ESOMEPRAZOLE MAGNESIUM (Biocon Pharma Inc.,), 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 (CSPC Ouyi Pharmaceutical), ESOMEPRAZOLE MAGNESIUM (Camber Pharmaceuticals), ESOMEPRAZOLE MAGNESIUM (Direct Rx), ESOMEPRAZOLE MAGNESIUM (Dr. Reddy's Laboratories), ESOMEPRAZOLE MAGNESIUM (Graviti Pharmaceuticals Private Limited), ESOMEPRAZOLE MAGNESIUM (Lake Erie Medical DBA Quality Care Products LLC), ESOMEPRAZOLE MAGNESIUM (Major Pharmaceuticals), ESOMEPRAZOLE MAGNESIUM (Mylan Institutional), ESOMEPRAZOLE MAGNESIUM (Mylan Pharmaceuticals), ESOMEPRAZOLE MAGNESIUM (NorthStar Rx LLC), ESOMEPRAZOLE MAGNESIUM (NuCare Pharmaceuticals), ESOMEPRAZOLE MAGNESIUM (NuCare Pharmaceuticals), ESOMEPRAZOLE MAGNESIUM (NuCare Pharmaceuticals), ESOMEPRAZOLE MAGNESIUM (NuCare Pharmaceuticals), ESOMEPRAZOLE MAGNESIUM (NuCare Pharmceuticals), ESOMEPRAZOLE MAGNESIUM (Preferred Pharmaceuticals), ESOMEPRAZOLE MAGNESIUM (Preferred Pharmaceuticals), ESOMEPRAZOLE MAGNESIUM (Preferred Pharmaceuticals), ESOMEPRAZOLE MAGNESIUM (Proficient Rx LP), ESOMEPRAZOLE MAGNESIUM (Proficient Rx LP), ESOMEPRAZOLE MAGNESIUM (Quality Care Products), ESOMEPRAZOLE MAGNESIUM (REMEDYREPACK), ESOMEPRAZOLE MAGNESIUM (Sun Pharmaceutical Industries), ESOMEPRAZOLE MAGNESIUM (Torrent Pharmaceuticals Limited), ESOMEPRAZOLE MAGNESIUM (A-S Medication Solutions), ESOMEPRAZOLE MAGNESIUM (Ascend Laboratories), ESOMEPRAZOLE MAGNESIUM (Asclemed USA)

Formula

(C17H18N3O3S)2. 3H2O. Mg

Exact mass

766.2305

Mol weight

767.1671

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

Therapeutic category:

2329

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

Structure map

map07038

Antiulcer drugs

map07233

Ion transporter inhibitors

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
      D01984  Esomeprazole magnesium (USP) <JP/US>
USP drug classification [BR:br08302]
Gastrointestinal Agents
  Proton Pump Inhibitors
   Esomeprazole
    D01984  Esomeprazole magnesium (USP)
Therapeutic category of drugs in Japan [BR:br08301]
2  Agents affecting individual organs
  23  Digestive organ agents
   232  Peptic ulcer agents
    2329  Others
     D01984  Esomeprazole magnesium (USP); Esomeprazole magnesium hydrate (JAN)
Drug groups [BR:br08330]
Gastrointestinal agent
  DG01975  Agents for peptic ulcer
   DG01646  Proton pump inhibitor (PPI)
    DG00023  Esomeprazole
     D01984  Esomeprazole magnesium
Metabolizing enzyme substrate
  DG01639  CYP2C19 substrate
   DG00023  Esomeprazole
    D01984  Esomeprazole magnesium
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00023  Esomeprazole
     D01984  Esomeprazole magnesium
Drug classes [BR:br08332]
Gastrointestinal agent
  DG01646  Proton pump inhibitor (PPI)
   D01984  Esomeprazole magnesium
Target-based classification of drugs [BR:br08310]
Enzymes
  Hydrolases (EC3)
   ATPase
    ATP4
     D01984  Esomeprazole magnesium (USP) <JP/US>
New drug approvals in Europe [br08329.html]
European public assessment reports (EPAR) authorised medicine
  D01984
New drug approvals in Japan [br08318.html]
Drugs with new active ingredients
  D01984
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
  D01984
Pharmacogenomic biomarkers [br08341.html]
Polymorphisms and mutations affecting drug response
  D01984
Rx-to-OTC switch list in the USA [br08315.html]
D01984
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:	217087-09-7

PubChem:

7849046

LigandBox:

D01984

KCF data

ATOM        52
            1   C8x C    20.3918  -19.3472
            2   C8y C    20.3918  -20.7493
            3   C8x C    21.6097  -21.4467
            4   C8x C    21.6097  -18.6427
            5   C8y C    22.8207  -19.3472
            6   C8y C    22.8148  -20.7527
            7   N5x N    24.1500  -21.1904
            8   C8y C    24.9834  -20.0554
            9   N4x N    24.1593  -18.9137 #-
            10  S4a S    26.3731  -20.1218
            11  C1b C    27.0706  -21.3335
            12  C8y C    28.4655  -21.3335
            13  C8y C    29.1663  -22.5426
            14  C8y C    30.5613  -22.5426
            15  C8y C    31.2554  -21.3335
            16  C8x C    30.5613  -20.1245
            17  N5x N    29.1663  -20.1245
            18  C1a C    32.6572  -21.3335
            19  O2a O    31.2587  -23.7576
            20  C1a C    32.6608  -23.7576
            21  C1a C    28.4619  -23.7576
            22  O3c O    27.0682  -18.9053
            23  O2a O    19.1841  -21.4472
            24  C1a C    17.9687  -20.7505
            25  Z   Mg   36.7654  -19.6553 #2+
            26  O0  O    38.0919  -22.0340
            27  C8x C    20.3918  -19.3472
            28  C8x C    21.6097  -18.6427
            29  C8y C    22.8207  -19.3472
            30  C8y C    22.8148  -20.7527
            31  C8x C    21.6097  -21.4467
            32  C8y C    20.3918  -20.7493
            33  O2a O    19.1841  -21.4472
            34  C1a C    17.9687  -20.7505
            35  N5x N    24.1500  -21.1904
            36  C8y C    24.9834  -20.0554
            37  S4a S    26.3731  -20.1218
            38  C1b C    27.0706  -21.3335
            39  C8y C    28.4655  -21.3335
            40  C8y C    29.1663  -22.5426
            41  C8y C    30.5613  -22.5426
            42  C8y C    31.2554  -21.3335
            43  C8x C    30.5613  -20.1245
            44  N5x N    29.1663  -20.1245
            45  C1a C    32.6572  -21.3335
            46  O2a O    31.2587  -23.7576
            47  C1a C    32.6608  -23.7576
            48  C1a C    28.4619  -23.7576
            49  O3c O    27.0682  -18.9053
            50  N4x N    24.1593  -18.9137 #-
            51  O0  O    38.0919  -22.0340
            52  O0  O    38.0919  -22.0340
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    16.3800  -24.7100   16.3800  -17.6400
            1    34.1600  -17.6400   34.1600  -24.7100
            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    36.1900  -22.9600   36.1900  -21.0700
            2    38.5000  -21.0700   38.5000  -22.9600
            2  3
ORIGINAL  2   26
REPEAT    2   51  52