| Entry |
|
|---|
| Name |
Pentaerythritol tetranitrate (JAN);
Pentaerithrityl tetranitrate (INN);
Pentritol tempules (TN) |
|---|
| Formula |
C5H8N4O12
|
|---|
| Exact mass |
316.0139
|
|---|
| Mol weight |
316.14
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Cardiovascular agent
DG01657 Nitrovasodilator
Gastrointestinal agent
DG01770 Laxative
|
|---|
| Remark |
|
|---|
| Efficacy |
Vasodilator |
|---|
| Comment |
Organic nitrate
|
|---|
| Interaction |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
A ALIMENTARY TRACT AND METABOLISM
A06 DRUGS FOR CONSTIPATION
A06A DRUGS FOR CONSTIPATION
A06AD Osmotically acting laxatives
A06AD14 Pentaerithrityl
D01721 Pentaerythritol tetranitrate (JAN)
C CARDIOVASCULAR SYSTEM
C01 CARDIAC THERAPY
C01D VASODILATORS USED IN CARDIAC DISEASES
C01DA Organic nitrates
C01DA05 Pentaerithrityl tetranitrate
D01721 Pentaerythritol tetranitrate (JAN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01657 Nitrovasodilator
D01721 Pentaerythritol tetranitrate
Gastrointestinal agent
DG01770 Laxative
D01721 Pentaerythritol tetranitrate
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 21
1 C1d C 24.5870 -19.2183
2 C1b C 23.1870 -19.2183
3 C1b C 25.9870 -19.2183
4 C1b C 24.5799 -17.8183
5 C1b C 24.5799 -20.6183
6 O2a O 25.7888 -17.1122
7 O2a O 26.6870 -20.4308
8 O2a O 23.3640 -21.3122
9 O2a O 22.4870 -18.0058
10 N2b N 25.7817 -15.7122 #+
11 N2b N 28.0870 -20.4308 #+
12 N2b N 23.3569 -22.7122 #+
13 N2b N 21.0870 -18.0058 #+
14 O3a O 27.2006 -14.8660 #-
15 O3a O 24.5658 -15.0183
16 O3a O 20.3870 -16.7935 #-
17 O3a O 20.3870 -19.2183
18 O3a O 28.7870 -21.6431 #-
19 O3a O 28.7870 -19.2183
20 O3a O 22.1410 -23.4061 #-
21 O3a O 24.5658 -23.4183
BOND 20
1 7 11 1
2 4 6 1
3 8 12 1
4 1 2 1
5 9 13 1
6 3 7 1
7 10 14 1
8 1 4 1
9 10 15 2
10 5 8 1
11 13 16 1
12 13 17 2
13 2 9 1
14 11 18 1
15 1 5 1
16 11 19 2
17 6 10 1
18 12 20 1
19 1 3 1
20 12 21 2
|
|---|
