| Entry |
|
|---|
| Name |
Pentrinitrol (USAN);
Petrin (TN) |
|---|
| Formula |
C5H9N3O10
|
|---|
| Exact mass |
271.0288
|
|---|
| Mol weight |
271.14
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Cardiovascular agent
DG01657 Nitrovasodilator
|
|---|
| Efficacy |
Vasodilator (coronary) |
|---|
| Comment |
Organic nitrate
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Cardiovascular agent
DG01657 Nitrovasodilator
D05430 Pentrinitrol
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 18
1 C1d C 24.5777 -19.2568
2 C1b C 23.1901 -19.2568
3 C1b C 25.9652 -19.2568
4 C1b C 24.5706 -17.8693
5 C1b C 24.5706 -20.6444
6 O2a O 25.7687 -17.1695
7 O2a O 26.6589 -20.4585
8 O1a O 23.3656 -21.3321
9 O2a O 22.4964 -18.0552
10 N2b N 25.7617 -15.7820 #+
11 N2b N 28.0464 -20.4585 #+
12 N2b N 21.1089 -18.0552 #+
13 O3a O 27.1679 -14.9434 #-
14 O3a O 24.5566 -15.0943
15 O3a O 20.4151 -16.8537 #-
16 O3a O 20.4151 -19.2568
17 O3a O 28.7402 -21.6600 #-
18 O3a O 28.7402 -19.2568
BOND 17
1 7 11 1
2 4 6 1
3 1 2 1
4 9 12 1
5 3 7 1
6 10 13 1
7 1 4 1
8 10 14 2
9 5 8 1
10 12 15 1
11 12 16 2
12 2 9 1
13 11 17 1
14 1 5 1
15 11 18 2
16 6 10 1
17 1 3 1
|
|---|
