| Entry |
|
|---|
| Name |
Dehydrocholic acid (JP19/USP/INN);
Purified dehydrocholic acid (JP19);
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 (JP19/USP/INN); Purified dehydrocholic acid (JP19)
Risk category of Japanese OTC drugs [BR:br08312]
Third-class OTC drugs
Inorganic and organic chemicals
Dehydrocholic acid
D01693 Dehydrocholic acid (JP19/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 13.3431 -18.0188
2 C5x C 13.3431 -19.3765
3 C1x C 14.5188 -20.0554
4 C1y C 15.6947 -19.3765
5 C1z C 15.6947 -18.0188
6 C1x C 14.5188 -17.3400
7 C1x C 16.8705 -20.0554
8 C5x C 18.0462 -19.3765
9 C1y C 18.0462 -18.0188
10 C1y C 16.8705 -17.3400
11 C1y C 19.2221 -17.3400
12 C1z C 19.2221 -15.9823
13 C5x C 18.0462 -15.3035
14 C1x C 16.8705 -15.9823
15 O5x O 12.1673 -20.0554
16 O5x O 19.2076 -20.0471
17 O5x O 18.0462 -13.9459
18 C1a C 15.6947 -16.6612
19 C1a C 19.2221 -14.6246
20 C1x C 21.5736 -17.3400
21 C1x C 21.5736 -15.9823
22 C1y C 20.3978 -15.3035
23 C1c C 20.3978 -13.3348
24 C1b C 21.5776 -12.6537
25 C1a C 19.2260 -12.6582
26 C1b C 22.7389 -13.3243
27 C6a C 23.8893 -12.6601
28 O6a O 25.0451 -13.3276
29 O6a O 23.8895 -11.2985
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
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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|---|
