KEGG   DRUG: Trepibutone
Entry
D01365                      Drug                                   

Name
Trepibutone (JP17/INN);
Supacal (TN)
Formula
C16H22O6
Exact mass
310.1416
Mol weight
310.3423
Structure
Remark
Therapeutic category: 2369
ATC code: A03AX09
Product: D01365<JP>
Efficacy
Choleretic
Structure map
map07216  Catecholamine transferase inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A03 DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
   A03A DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
    A03AX Other drugs for functional gastrointestinal disorders
     A03AX09 Trepibutone
      D01365  Trepibutone (JP17/INN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  23  Digestive organ agents
   236  Cholagogues
    2369  Others
     D01365  Trepibutone (JP17/INN)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01365  Trepibutone
Other DBs
CAS: 41826-92-0
PubChem: 7848428
ChEBI: 32255
ChEMBL: CHEMBL1725880
LigandBox: D01365
NIKKAJI: J3.507F
LinkDB
KCF data

ATOM        22
            1   C8y C    21.9194  -18.6478
            2   C8x C    21.9194  -17.2477
            3   C8y C    23.1349  -16.5477
            4   C8y C    24.3432  -17.2477
            5   C8x C    24.3432  -18.6478
            6   C8y C    23.1349  -19.3479
            7   O2a O    23.0666  -20.7480
            8   O2a O    20.7072  -19.3485
            9   O2a O    23.0666  -15.1476
            10  C1b C    21.8548  -14.4460
            11  C1a C    20.6416  -15.1445
            12  C5a C    25.5561  -16.5485
            13  O5a O    25.5573  -15.1484
            14  C1b C    26.7682  -17.2496
            15  C1b C    27.9812  -16.5504
            16  C6a C    29.1933  -17.2513
            17  O6a O    30.4062  -16.5523
            18  O6a O    29.1921  -18.6514
            19  C1b C    19.4943  -18.6490
            20  C1a C    19.4936  -17.2489
            21  C1b C    21.8548  -21.4495
            22  C1a C    20.6416  -20.7510
BOND        22
            1    10  11 1
            2     5   6 2
            3     4  12 1
            4     6   1 1
            5    12  13 2
            6    12  14 1
            7     6   7 1
            8    14  15 1
            9     1   2 2
            10   15  16 1
            11    1   8 1
            12   16  17 1
            13    2   3 1
            14   16  18 2
            15    3   9 1
            16    8  19 1
            17    3   4 2
            18   19  20 1
            19    9  10 1
            20    7  21 1
            21    4   5 1
            22   21  22 1

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