| Entry |
|
|---|
| Name |
Nepicastat hydrochloride (USAN);
Nepicastat hydrochloride monohydrate |
|---|
| Formula |
C14H15F2N3S. HCl. H2O
|
|---|
| Exact mass |
349.0827
|
|---|
| Mol weight |
349.827
|
|---|
| Structure |
|
|---|
| Class |
Cardiovascular agent
DG01617 Catecholamine synthesis inhibitors
|
|---|
| Efficacy |
Cardiotonic, Dopamine beta-hydroxylase inhibitor |
|---|
| Comment |
Treatment of congestive heart failure
|
|---|
| Target |
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Cardiovascular agent
DG01617 Catecholamine synthesis inhibitors
D03787 Nepicastat hydrochloride
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Other monooxygenases
DBH
D03787 Nepicastat hydrochloride (USAN)
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 22
1 C8y C 23.4388 -16.9051
2 C8x C 23.4388 -18.3134
3 C8y C 24.6584 -19.0176
4 C8y C 25.8782 -18.3134
5 C8y C 25.8782 -16.9051
6 C8x C 24.6584 -16.2009
7 C1x C 27.0978 -19.0176
8 C1x C 28.3174 -18.3134
9 C1y C 28.3174 -16.9051
10 C1x C 27.0978 -16.2009
11 N4y N 29.5221 -16.2094
12 C8y C 30.8300 -16.6419
13 C8x C 31.6445 -15.5281
14 N4x N 30.8371 -14.4093
15 C8y C 29.5234 -14.8315
16 S0 S 28.3826 -13.9971
17 X F 24.6584 -20.4257
18 X F 22.2192 -16.2009
19 C1b C 31.2596 -17.9824
20 N1a N 32.6596 -17.9824
21 X Cl 37.3110 -17.8205
22 O0 O 41.9585 -17.7501
BOND 22
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 1
10 9 10 1
11 5 10 1
12 9 11 1 #Up
13 11 12 1
14 12 13 2
15 13 14 1
16 14 15 1
17 11 15 1
18 15 16 2
19 3 17 1
20 1 18 1
21 12 19 1
22 19 20 1
|
|---|
