Entry |
|
Name |
Bietaserpine (prop.INN) |
Formula |
C39H53N3O9
|
Exact mass |
707.3782
|
Mol weight |
707.85
|
Structure |
![](/Fig/drug/D07167.gif)
|
Simcomp |
|
Class |
Cardiovascular agent
DG01738 Centrally-acting antiadrenergic
DG01737 Rauwolfia alkaloid
|
Remark |
|
Efficacy |
Antihypertensive |
Comment |
Rauwolfia alkaloid
Reserpine [DR: D00197] derivative
|
Interaction |
|
Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
C CARDIOVASCULAR SYSTEM
C02 ANTIHYPERTENSIVES
C02A ANTIADRENERGIC AGENTS, CENTRALLY ACTING
C02AA Rauwolfia alkaloids
C02AA07 Bietaserpine
D07167 Bietaserpine (prop.INN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01738 Centrally-acting antiadrenergic
DG01737 Rauwolfia alkaloid
D07167 Bietaserpine (prop.INN)
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 51
1 C8y C 14.2383 -16.3302
2 C1y C 15.4254 -15.5154
3 N1y N 15.3858 -14.1339
4 C1x C 14.1219 -13.5080
5 C1x C 13.0048 -14.2529
6 C8y C 13.0117 -15.6237
7 C1x C 16.5821 -16.2219
8 C1y C 17.7692 -15.4770
9 C1y C 17.7995 -14.0956
10 C1x C 16.5729 -13.4590
11 C1y C 19.0658 -16.1136
12 C1y C 20.2529 -15.3687
13 C1y C 20.2133 -13.9873
14 C1x C 18.9866 -13.3507
15 C8y C 11.9142 -16.7132
16 C8y C 12.6591 -17.9003
17 N4y N 14.0254 -17.7047
18 C8x C 10.5328 -16.7528
19 C8x C 9.8368 -18.0168
20 C8y C 10.5445 -19.1445
21 C8x C 11.9259 -19.1049
22 O2a O 9.9079 -20.3711
23 C7a C 19.1427 -17.5544
24 O7a O 21.4000 -13.2418
25 O2a O 21.5168 -16.0647
26 O6a O 17.9556 -18.2993
27 O7a O 20.3694 -18.1910
28 C1a C 22.7039 -15.3198
29 C7a C 21.4046 -11.8598
30 C8y C 22.6149 -11.1533
31 O6a O 20.1636 -11.1237
32 C8x C 23.8206 -11.8288
33 C8y C 25.0309 -11.1223
34 C8y C 25.0355 -9.7403
35 C8y C 23.7945 -9.0042
36 C8x C 22.5842 -9.7107
37 O2a O 26.2458 -9.0338
38 C1a C 25.0095 -6.9157
39 O2a O 23.7991 -7.6222
40 O2a O 26.2366 -11.7978
41 C1a C 27.4469 -11.0913
42 C1a C 27.4631 -9.7288
43 C1a C 21.5455 -17.4396
44 C1a C 8.5414 -20.3626
45 C1b C 14.7014 -18.9216
46 C1b C 16.1014 -18.9199
47 N1c N 16.8029 -20.1315
48 C1b C 18.2029 -20.1298
49 C1b C 16.0911 -21.3673
50 C1a C 18.9169 -21.3625
51 C1a C 16.7871 -22.5698
BOND 56
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 2
7 2 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 3 10 1
12 8 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 9 14 1
17 6 15 1
18 15 16 1
19 16 17 1
20 1 17 1
21 15 18 2
22 18 19 1
23 19 20 2
24 20 21 1
25 16 21 2
26 20 22 1
27 11 23 1 #Up
28 13 24 1 #Up
29 12 25 1 #Down
30 23 26 2
31 23 27 1
32 25 28 1
33 24 29 1
34 29 30 1
35 29 31 2
36 30 32 2
37 32 33 1
38 33 34 2
39 34 35 1
40 35 36 2
41 30 36 1
42 34 37 1
43 38 39 1
44 35 39 1
45 33 40 1
46 40 41 1
47 37 42 1
48 27 43 1
49 22 44 1
50 17 45 1
51 45 46 1
52 46 47 1
53 47 48 1
54 47 49 1
55 48 50 1
56 49 51 1
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