Entry |
|
Name |
Dimethylaminoethyl reserpilinate dihydrochloride;
Paratensiol
|
Formula |
C26H35N3O5. 2HCl
|
Exact mass |
541.211
|
Mol weight |
542.4951
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Structure |
|
Remark |
|
Brite |
Drug groups [BR:br08330]
Cardiovascular agent
DG01738 Centrally-acting antiadrenergic
DG01737 Rauwolfia alkaloid
D01950 Dimethylaminoethyl reserpilinate dihydrochloride
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Other DBs |
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LinkDB |
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KCF data |
ATOM 36
1 C8y C 25.8725 -12.3111
2 C8y C 25.8725 -13.7014
3 C8x C 27.1238 -14.3965
4 C8y C 28.3055 -13.7014
5 C8y C 28.3055 -12.3111
6 C8x C 27.1238 -11.6160
7 N4x N 29.6262 -14.1880
8 C8y C 30.4604 -13.0063
9 C8y C 29.6262 -11.8941
10 O2a O 24.6908 -11.6160
11 C1a C 23.4396 -12.3111
12 O2a O 24.6908 -14.3965
13 C1a C 23.4396 -13.7014
14 C1y C 31.8506 -12.9862
15 C1x C 32.5719 -14.1948
16 N1y N 32.5198 -11.7876
17 C1x C 33.9360 -11.7678
18 C1x C 31.8001 -10.5816
19 C1x C 30.3912 -10.6021
20 C1y C 33.9360 -14.2449
21 C1y C 34.6422 -12.9525
22 C2y C 34.6544 -15.3783
23 C1y C 36.0215 -12.9332
24 O2x O 36.7351 -14.1299
25 C2x C 36.0575 -15.4126
26 C7a C 33.9819 -16.6691
27 O7a O 32.6153 -16.6269
28 O6a O 34.7171 -17.8154
29 C1a C 36.6980 -11.7223
30 C1b C 31.9473 -17.8402
31 C1b C 30.5299 -17.8684
32 N1c N 29.8573 -19.0889
33 C1a C 28.4445 -19.1165
34 C1a C 30.5854 -20.2936
35 X Cl 25.3164 -16.9685
36 X Cl 25.3164 -16.9685
BOND 38
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 2
10 5 9 1
11 1 10 1
12 10 11 1
13 2 12 1
14 12 13 1
15 8 14 1
16 14 15 1
17 14 16 1
18 16 17 1
19 16 18 1
20 18 19 1
21 19 9 1
22 15 20 1
23 17 21 1
24 20 22 1
25 21 23 1
26 21 20 1
27 23 24 1
28 24 25 1
29 22 25 2
30 22 26 1
31 26 27 1
32 26 28 2
33 23 29 1 #Down
34 27 30 1
35 30 31 1
36 31 32 1
37 32 33 1
38 32 34 1
BRACKET 1 23.8000 -17.7100 23.8000 -15.9600
1 26.0400 -15.9600 26.0400 -17.7100
1 2
ORIGINAL 1 38
REPEAT 1 39
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