Entry |
|
Name |
Dimethylaminoethyl reserpilinate dihydrochloride (JAN); Paratensiol |
Formula |
C26H35N3O5. 2HCl
|
Exact mass |
541.211
|
Mol weight |
542.4951
|
Structure |
|
Simcomp |
|
Class |
Cardiovascular agent
DG01738 Centrally-acting antiadrenergic
DG01737 Rauwolfia alkaloid
|
Remark |
|
Efficacy |
Antihypertensive |
Comment |
Rauwolfia alkaloid
|
Interaction |
|
Brite |
Drug groups [BR:br08330]
Cardiovascular agent
DG01738 Centrally-acting antiadrenergic
DG01737 Rauwolfia alkaloid
D01950 Dimethylaminoethyl reserpilinate dihydrochloride
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 36
1 C8y C 24.0800 -11.3400
2 C8y C 24.0800 -12.7400
3 C8x C 25.3400 -13.4400
4 C8y C 26.5300 -12.7400
5 C8y C 26.5300 -11.3400
6 C8x C 25.3400 -10.6400
7 N4x N 27.8600 -13.2300
8 C8y C 28.7000 -12.0400
9 C8y C 27.8600 -10.9200
10 O2a O 22.8900 -10.6400
11 C1a C 21.6300 -11.3400
12 O2a O 22.8900 -13.4400
13 C1a C 21.6300 -12.7400
14 C1y C 30.0999 -12.0198
15 C1x C 30.8263 -13.2369
16 N1y N 30.7738 -10.8128
17 C1x C 32.1999 -10.7929
18 C1x C 30.0491 -9.5984
19 C1x C 28.6303 -9.6190
20 C1y C 32.1999 -13.2168
21 C1y C 32.9111 -11.9859
22 C2y C 32.9234 -14.4286
23 C1y C 34.3000 -11.9664
24 O2x O 35.0186 -13.1715
25 C2x C 34.3363 -14.3927
26 C7a C 32.2462 -15.6580
27 O7a O 30.8700 -15.6860
28 O6a O 32.9865 -16.8828
29 C1a C 34.9813 -10.7470
30 C1b C 30.1973 -16.9078
31 C1b C 28.7700 -16.9362
32 N1c N 28.0927 -18.1652
33 C1a C 26.6700 -18.1930
34 C1a C 28.8259 -19.3784
35 X Cl 23.5200 -16.0300
36 X Cl 23.5200 -16.0300
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 22.0500 -16.8000 22.0500 -15.0500
1 24.2900 -15.0500 24.2900 -16.8000
1 2
ORIGINAL 1 38
REPEAT 1 39
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