| Entry |
|
|---|
| Name |
Debrisoquin sulfate (USAN);
Declinax (TN) |
|---|
| Formula |
(C10H13N3)2. H2SO4
|
|---|
| Exact mass |
448.1893
|
|---|
| Mol weight |
448.54
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Cardiovascular agent
DG01739 Peripherally-acting antiadrenergic
Metabolizing enzyme substrate
DG01644 CYP2D6 substrate
|
|---|
| Remark |
|
|---|
| Efficacy |
Antihypertensive |
|---|
| Comment |
Guanidine derivative
|
|---|
| Metabolism |
Enzyme: CYP2D6 [HSA: 1565]
|
|---|
| Interaction |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
C CARDIOVASCULAR SYSTEM
C02 ANTIHYPERTENSIVES
C02C ANTIADRENERGIC AGENTS, PERIPHERALLY ACTING
C02CC Guanidine derivatives
C02CC04 Debrisoquine
D03664 Debrisoquin sulfate (USAN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01739 Peripherally-acting antiadrenergic
DG00259 Debrisoquine
D03664 Debrisoquin sulfate
Metabolizing enzyme substrate
DG01644 CYP2D6 substrate
D03664 Debrisoquin sulfate
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D03664
Drug groups [BR:br08330]
Cardiovascular agent
DG01739 Peripherally-acting antiadrenergic
DG00259 Debrisoquine
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 31
1 C8x C 5.5051 -9.1214
2 C8x C 5.5051 -10.5211
3 C8x C 6.7173 -11.2210
4 C8y C 7.9295 -10.5211
5 C8y C 7.9295 -9.1214
6 C8x C 6.7173 -8.4216
7 C1x C 9.1417 -11.2210
8 C1x C 10.3539 -10.5211
9 N1y N 10.3539 -9.1214
10 C1x C 9.1417 -8.4216
11 C2c C 11.5687 -8.4201
12 N1a N 12.7830 -9.1210
13 N2a N 11.5687 -7.0218
14 S4a S 19.5002 -8.9369
15 O1d O 20.9001 -8.9369
16 O1d O 18.1003 -8.9767
17 O1d O 19.5631 -10.3368
18 O1d O 19.5037 -7.5369
19 C8x C 5.5051 -9.1214
20 C8x C 5.5051 -10.5211
21 C8x C 6.7173 -11.2210
22 C8y C 7.9295 -10.5211
23 C8y C 7.9295 -9.1214
24 C8x C 6.7173 -8.4216
25 C1x C 9.1417 -8.4216
26 N1y N 10.3539 -9.1214
27 C1x C 10.3539 -10.5211
28 C1x C 9.1417 -11.2210
29 C2c C 11.5687 -8.4201
30 N1a N 12.7830 -9.1210
31 N2a N 11.5687 -7.0218
BOND 32
1 14 15 1
2 14 16 1
3 14 17 2
4 14 18 2
5 1 2 1
6 2 3 2
7 3 4 1
8 4 5 2
9 5 6 1
10 1 6 2
11 4 7 1
12 7 8 1
13 8 9 1
14 9 10 1
15 5 10 1
16 9 11 1
17 11 12 1
18 11 13 2
19 19 20 1
20 20 21 2
21 21 22 1
22 22 23 2
23 23 24 1
24 19 24 2
25 22 28 1
26 28 27 1
27 27 26 1
28 26 25 1
29 23 25 1
30 26 29 1
31 29 30 1
32 29 31 2
BRACKET 1 4.5500 -11.9700 4.5500 -5.6700
1 14.9100 -5.6700 14.9100 -11.9700
1 2
ORIGINAL 1 1 2 3 4 5 6 10 9 8 7 11 12 13
REPEAT 1 19 20 21 22 23 24 25 26 27 28 29 30 31
|
|---|