| Entry |
|
|---|
| Name |
Dehydrocholic acid (JP18/USP/INN);
Purified dehydrocholic acid (JP18);
Decholin (TN) |
|---|
| Formula |
C24H34O5
|
|---|
| Exact mass |
402.2406
|
|---|
| Mol weight |
402.52
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Gastrointestinal agent
DG01956 Bile acid preparation
|
|---|
| Remark |
| Therapeutic category: | 2362 |
|
|---|
| Efficacy |
Choleretic |
|---|
| Comment |
Bile acid
|
|---|
| 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 (JP18/USP/INN); Purified dehydrocholic acid (JP18)
Risk category of Japanese OTC drugs [BR:br08312]
Third-class OTC drugs
Inorganic and organic chemicals
Dehydrocholic acid
D01693 Dehydrocholic acid (JP18/USP/INN)
Drug groups [BR:br08330]
Gastrointestinal agent
DG01956 Bile acid preparation
D01693 Dehydrocholic acid
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
Chemicals
D01693 Dehydrocholic acid
D01693 Purified dehydrocholic acid
D01693 Dehydrocholic acid for injection
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
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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|---|
