KEGG   COMPOUND: C07080
Entry
C07080                      Compound                               
Name
Loperamide
Formula
C29H33ClN2O2
Exact mass
476.2231
Mol weight
477.0375
Structure
Remark
Same as: D08144
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A07 ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
   A07D ANTIPROPULSIVES
    A07DA Antipropulsives
     A07DA03 Loperamide
      D08144  Loperamide (INN)
Risk category of Japanese OTC drugs [BR:br08312]
 Designated second-class OTC drugs
  Inorganic and organic chemicals
   Loperamide
    D08144  Loperamide (INN)
 Second-class OTC drugs
  Inorganic and organic chemicals
   Loperamide
    D08144  Loperamide (INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01564  Opioid receptor agonist
   DG00092  Loperamide
    D08144  Loperamide
 Metabolizing enzyme substrate
  DG02918  CYP2C8 substrate
   DG00092  Loperamide
    D08144  Loperamide
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00092  Loperamide
     D08144  Loperamide
 Transporter substrate
  DG01665  ABCB1 substrate
   DG00092  Loperamide
    D08144  Loperamide
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D08144  Loperamide (INN)
    OPRK1
     D08144  Loperamide (INN)
    OPRD1
     D08144  Loperamide (INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D08144
 Drug transporters
  D08144
Rx-to-OTC switch list in the USA [br08315.html]
 D08144
Other DBs
CAS: 53179-11-6
PubChem: 9291
ChEBI: 6532
NIKKAJI: J10.085D
KCF data

ATOM        34
            1   C8x C    23.5200  -23.6600
            2   C8x C    23.5200  -24.9900
            3   C8x C    24.7100  -25.6900
            4   C8x C    25.9000  -24.9900
            5   C8y C    25.9000  -23.6600
            6   C8x C    24.7100  -23.0300
            7   C8x C    28.2100  -24.9900
            8   C8y C    28.2100  -23.6600
            9   C1d C    27.0200  -23.0300
            10  C8x C    29.4000  -25.6900
            11  C8x C    30.5200  -24.9900
            12  C8x C    30.5200  -23.6600
            13  C8x C    29.4000  -23.0300
            14  C5a C    23.8000  -21.3500
            15  N1c N    22.6800  -22.0500
            16  O5a O    23.8000  -20.0200
            17  C1b C    27.0200  -21.6300
            18  C1b C    28.2800  -20.9300
            19  N1y N    28.2800  -19.5300
            20  C1x C    29.4700  -18.8300
            21  C1x C    29.4700  -17.4300
            22  C1z C    28.2800  -16.7300
            23  C1x C    27.0200  -17.4300
            24  C1x C    27.0200  -18.8300
            25  C1a C    21.4200  -21.4200
            26  C1a C    22.6800  -23.4500
            27  C8y C    28.2800  -15.3300
            28  C8x C    29.5400  -14.6300
            29  C8x C    29.5400  -13.2300
            30  C8y C    28.3500  -12.5300
            31  C8x C    27.0900  -13.2300
            32  C8x C    27.0900  -14.6300
            33  O1a O    29.4700  -16.0300
            34  X   Cl   28.3500  -11.1300
BOND        37
            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     7   8 1
            8     8   9 1
            9     5   9 1
            10    7  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14    8  13 2
            15    9  14 1
            16   14  15 1
            17   14  16 2
            18    9  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   21  22 1
            24   22  23 1
            25   23  24 1
            26   19  24 1
            27   15  25 1
            28   15  26 1
            29   22  27 1
            30   27  28 2
            31   28  29 1
            32   29  30 2
            33   30  31 1
            34   31  32 2
            35   27  32 1
            36   22  33 1
            37   30  34 1

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