KEGG   COMPOUND: C06952Help
Entry
C06952                      Compound                               

Name
Cimetidine
Formula
C10H16N6S
Exact mass
252.1157
Mol weight
252.3392
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Brite
Carcinogens [BR:br08008]
 Group 3: Not classifiable as to its carcinogenicity to humans
  Compounds
   C06952  Cimetidine
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)
    A02BA H2-receptor antagonists
     A02BA01 Cimetidine
      D00295  Cimetidine (JP17/USP/INN)
USP drug classification [BR:br08302]
 Gastrointestinal Agents
  Histamine2 (H2) receptor Antagonists
   Cimetidine
    D00295  Cimetidine (JP16/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  23  Digestive organ agents
   232  Peptic ulcer agents
    2325  H2 blockers
     D00295  Cimetidine (JP17/USP/INN)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for digestive organs
  09 Histamine H2 receptor blocker containing drugs
   D00295  Cimetidine (JP17/USP/INN)
Risk category of Japanese OTC drugs [BR:br08312]
 First-class OTC drugs
  Inorganic and organic chemicals
   Cimetidine
    D00295  Cimetidine (JP17/USP/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    H2-receptor
     Cimetidine
      D00295  Cimetidine (JP17/USP/INN)
Cytochrome P450 interactions [BR:br08309]
 CYP inhbitors
  CYP1A2
   Cimetidine
    D00295  Cimetidine (JP17/USP/INN)
  CYP2C9
   Cimetidine
    D00295  Cimetidine (JP17/USP/INN)
  CYP2C19
   Cimetidine
    D00295  Cimetidine (JP17/USP/INN)
  CYP2D6
   Cimetidine
    D00295  Cimetidine (JP17/USP/INN)
  CYP3A4
   Cimetidine
    D00295  Cimetidine (JP17/USP/INN)
  CYP3A5
   Cimetidine
    D00295  Cimetidine (JP17/USP/INN)
  CYP3A7
   Cimetidine
    D00295  Cimetidine (JP17/USP/INN)
  CYP3A
   Cimetidine
    D00295  Cimetidine (JP17/USP/INN)
 CYP substrates
  CYP1A2
   Cimetidine
    D00295  Cimetidine (JP17/USP/INN)
  CYP2C9
   Cimetidine
    D00295  Cimetidine (JP17/USP/INN)
  CYP2D6
   Cimetidine
    D00295  Cimetidine (JP17/USP/INN)
  CYP3A4
   Cimetidine
    D00295  Cimetidine (JP17/USP/INN)
 Transporter inhibitors
  SLC22A2
   Cimetidine
    D00295  Cimetidine (JP17/USP/INN)
  SLC22A3
   Cimetidine
    D00295  Cimetidine (JP17/USP/INN)
  OAT3
   Cimetidine
    D00295  Cimetidine (JP17/USP/INN)
  MATE1
   Cimetidine
    D00295  Cimetidine (JP17/USP/INN)
  MATE2
   Cimetidine
    D00295  Cimetidine (JP17/USP/INN)
 Transporter substrates
  SLC22A2
   Cimetidine
    D00295  Cimetidine (JP17/USP/INN)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00295  Cimetidine
Gastrointestinal agents [br08371.html]
 Antiulcer agent
  D00295
Rx-to-OTC switch list in the USA [br08315.html]
 D00295
Rx-to-OTC switch list in Japan [br08314.html]
 D00295
BRITE hierarchy
Other DBs
CAS: 
51481-61-9
PubChem: 
KCF data Show

ATOM        17
            1   C1b C    24.5161  -17.2081
            2   S2a S    25.7286  -16.5110
            3   C1b C    26.9410  -17.2081
            4   C1b C    28.1533  -16.5110
            5   N1b N    29.3656  -17.2081
            6   C2c C    30.5840  -16.5110
            7   N2b N    30.5840  -15.1055
            8   N1b N    31.7963  -17.2081
            9   C3b C    31.7963  -14.4084
            10  C1a C    33.0088  -16.5110
            11  N3a N    33.0237  -13.7126
            12  C8y C    23.3233  -16.5169
            13  N5x N    23.3233  -15.1155
            14  C8x C    21.9904  -14.6825
            15  N4x N    21.1666  -15.8162
            16  C8y C    21.9904  -16.9500
            17  C1a C    21.5563  -18.2858
BOND        17
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 2
            7     6   8 1
            8     7   9 1
            9     8  10 1
            10    9  11 3
            11    1  12 1
            12   12  13 1
            13   13  14 2
            14   14  15 1
            15   15  16 1
            16   12  16 2
            17   16  17 1

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