Entry |
|
Name |
Oxeladin citrate (JAN) |
Formula |
C20H33NO3. C6H8O7
|
Exact mass |
527.273
|
Mol weight |
527.6044
|
Structure |
|
Simcomp |
|
Remark |
|
Efficacy |
Antitussive |
Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
R RESPIRATORY SYSTEM
R05 COUGH AND COLD PREPARATIONS
R05D COUGH SUPPRESSANTS, EXCL. COMBINATIONS WITH EXPECTORANTS
R05DB Other cough suppressants
R05DB09 Oxeladin
D01576 Oxeladin citrate (JAN)
|
Other DBs |
|
KCF data |
ATOM 37
1 C8y C 22.2966 -16.8952
2 C1d C 23.5078 -17.5893
3 C7a C 24.7190 -16.8881
4 O7a O 25.9302 -17.5822
5 C1b C 27.1414 -16.8810
6 C1b C 28.3526 -17.5752
7 O2a O 29.5638 -16.8740
8 C1b C 30.7750 -17.5681
9 C1b C 31.9862 -16.8669
10 N1c N 33.1974 -17.5609
11 C1b C 34.4086 -16.8597
12 O6a O 24.7159 -15.4857
13 C1b C 24.7190 -18.2906
14 C1b C 22.2896 -18.2834
15 C1a C 22.2816 -19.6859
16 C1a C 24.7173 -19.6930
17 C8x C 22.3622 -15.4993
18 C8x C 21.0810 -14.8050
19 C8x C 19.8742 -15.5069
20 C8x C 19.8788 -16.9029
21 C8x C 21.0900 -17.5970
22 C1a C 35.6241 -17.5596
23 C1b C 33.2005 -18.9634
24 C1a C 34.4166 -19.6621
25 C1d C 42.5849 -16.9743
26 C1b C 41.3715 -17.6718
27 C1b C 43.7983 -17.6658
28 C6a C 43.2766 -15.7549
29 O1a O 41.8755 -15.7549
30 C6a C 40.1639 -16.9801
31 C6a C 43.7866 -19.0669
32 O6a O 42.5672 -14.5357
33 O6a O 44.6835 -15.7549
34 O6a O 38.9506 -17.6835
35 O6a O 40.1521 -15.5792
36 O6a O 45.0000 -19.7703
37 O6a O 42.5672 -19.7644
BOND 36
1 9 10 1
2 1 17 2
3 17 18 1
4 18 19 2
5 19 20 1
6 20 21 2
7 21 1 1
8 4 5 1
9 11 22 1
10 10 11 1
11 10 23 1
12 23 24 1
13 3 12 2
14 5 6 1
15 2 13 1
16 2 3 1
17 2 14 1
18 6 7 1
19 14 15 1
20 13 16 1
21 7 8 1
22 3 4 1
23 8 9 1
24 1 2 1
25 25 26 1
26 25 27 1
27 25 28 1
28 25 29 1
29 26 30 1
30 27 31 1
31 28 32 1
32 28 33 2
33 30 34 1
34 30 35 2
35 31 36 1
36 31 37 2
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