| Entry |
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| Name |
Carbenoxolone sodium (JAN/USAN) |
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| Formula |
C34H48O7. 2Na
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| Exact mass |
614.3195
|
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| Mol weight |
614.7203
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| Structure |
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| Simcomp |
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| Remark |
|
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| Efficacy |
Anti-inflammatory, Anti-ulcerative |
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| Comment |
Glycyrrhetinic acid [CPD: C02283] derivative
|
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| Target |
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| Pathway |
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
A ALIMENTARY TRACT AND METABOLISM
A02 DRUGS FOR ACID RELATED DISORDERS
A02B DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
A02BX Other drugs for peptic ulcer and gastro-oesophageal reflux disease (GORD)
A02BX01 Carbenoxolone
D01899 Carbenoxolone sodium (JAN/USAN)
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Dehydrogenases
HSD11B1
D01899 Carbenoxolone sodium (JAN/USAN)
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| Other DBs |
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| KCF data |
ATOM 43
1 C1x C 21.7541 -14.0704
2 C1y C 21.7541 -15.4759
3 C1z C 22.9742 -16.1786
4 C1x C 22.9742 -13.3677
5 C1z C 24.1871 -14.0704
6 C1y C 24.1809 -15.4759
7 C1x C 25.3950 -16.1837
8 C1x C 26.6153 -15.4863
9 C1y C 25.4072 -13.3728
10 C1z C 26.6153 -14.0838
11 C2x C 26.6383 -11.2802
12 C5x C 25.4186 -11.9712
13 C2y C 27.8464 -11.9912
14 C1z C 27.8296 -13.3886
15 C1x C 29.0312 -14.1020
16 C1x C 30.2500 -13.4178
17 C1y C 29.0652 -11.3070
18 C1z C 30.2644 -12.0218
19 C1x C 31.4830 -11.3407
20 C1x C 31.5026 -9.9448
21 C1z C 30.3033 -9.2300
22 C1x C 29.0381 -9.9111
23 C6a C 30.2931 -7.8241
24 O6a O 29.0708 -7.1304 #-
25 O6a O 31.5050 -7.1124
26 C1a C 31.5138 -8.5197
27 O5x O 24.2073 -11.2586
28 O7a O 20.5403 -16.1786
29 C7a C 19.3265 -15.4759
30 C1b C 18.1127 -16.1786
31 C1b C 16.8990 -15.4759
32 C6a C 15.6852 -16.1786
33 O6a O 14.4672 -15.4773 #-
34 O6a O 19.3265 -14.0704
35 O6a O 15.6869 -17.5841
36 C1a C 29.9005 -10.6136
37 C1a C 26.2287 -12.6720
38 C1a C 24.2445 -12.6650
39 C1a C 27.8858 -14.7874
40 C1a C 22.2579 -17.7424
41 C1a C 23.6634 -17.7424
42 Z Na 12.2355 -15.4901 #+
43 Z Na 26.6587 -7.1142 #+
BOND 45
1 18 19 1
2 19 20 1
3 20 21 1
4 21 22 1
5 22 17 1
6 3 6 1
7 21 23 1 #Up
8 5 4 1
9 23 24 1
10 4 1 1
11 23 25 2
12 9 10 1
13 21 26 1 #Down
14 10 14 1
15 12 27 2
16 13 11 2
17 2 28 1 #Up
18 11 12 1
19 28 29 1
20 12 9 1
21 29 30 1
22 30 31 1
23 31 32 1
24 32 33 1
25 1 2 1
26 29 34 2
27 13 14 1
28 32 35 2
29 14 15 1
30 18 36 1 #Up
31 15 16 1
32 16 18 1
33 10 37 1 #Up
34 17 13 1
35 5 38 1 #Up
36 5 6 1
37 6 7 1
38 7 8 1
39 14 39 1 #Down
40 8 10 1
41 3 40 1
42 9 5 1
43 3 41 1
44 2 3 1
45 17 18 1
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