KEGG   DRUG: Dehydrocholic acidHelp
Entry
D01693                      Drug                                   

Name
Dehydrocholic acid (JP17/USP/INN);
Purified dehydrocholic acid (JP17);
Decholin (TN)
Formula
C24H34O5
Exact mass
402.2406
Mol weight
402.5238
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Gastrointestinal agent
 DG01956  Bile acid preparation
Remark
Same as: C13154
Therapeutic category: 2362
Product: D01693<JP>
Efficacy
Choleretic
Comment
Bile acid
Interaction
Drug interaction
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  23  Digestive organ agents
   236  Cholagogues
    2362  Bile acids
     D01693  Dehydrocholic acid (JP17/USP/INN); Purified dehydrocholic acid (JP17)
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Dehydrocholic acid
    D01693  Dehydrocholic acid (JP17/USP/INN)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01693  Dehydrocholic acid
  D01693  Purified dehydrocholic acid
  D01693  Dehydrocholic acid for injection
Drug classes of therapeutic agents [br08360.html]
 Gastrointestinal agents
  D01693
BRITE hierarchy
Other DBs
CAS: 81-23-2
PubChem: 7848756
ChEBI: 31459
ChEMBL: CHEMBL514446
LigandBox: D01693
NIKKAJI: J3.858J
LinkDB All DBs
KCF data Show

ATOM        29
            1   C1x C     7.8400  -15.2600
            2   C5x C     7.8400  -16.6600
            3   C1x C     9.0524  -17.3600
            4   C1y C    10.2649  -16.6600
            5   C1z C    10.2649  -15.2600
            6   C1x C     9.0524  -14.5600
            7   C1x C    11.4773  -17.3600
            8   C5x C    12.6897  -16.6600
            9   C1y C    12.6897  -15.2600
            10  C1y C    11.4773  -14.5600
            11  C1y C    13.9022  -14.5600
            12  C1z C    13.9022  -13.1600
            13  C5x C    12.6897  -12.4600
            14  C1x C    11.4773  -13.1600
            15  O5x O     6.6276  -17.3600
            16  O5x O    13.8873  -17.3515
            17  O5x O    12.6897  -11.0601
            18  C1a C    10.2649  -13.8600
            19  C1a C    13.9022  -11.7600
            20  C1x C    16.3270  -14.5600
            21  C1x C    16.3270  -13.1600
            22  C1y C    15.1146  -12.4600
            23  C1c C    15.1146  -10.4300
            24  C1b C    16.3311   -9.7277
            25  C1a C    13.9062   -9.7323
            26  C1b C    17.5286  -10.4192
            27  C6a C    18.7149   -9.7343
            28  O6a O    19.9067  -10.4226
            29  O6a O    18.7151   -8.3302
BOND        32
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17    2  15 2
            18    8  16 2
            19   13  17 2
            20    5  18 1 #Up
            21   12  19 1 #Up
            22   11  20 1
            23   20  21 1
            24   21  22 1
            25   12  22 1
            26   22  23 1 #Up
            27   23  24 1
            28   23  25 1 #Down
            29   24  26 1
            30   26  27 1
            31   27  28 1
            32   27  29 2

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