| Entry |
|
|---|
| Name |
Pentifylline (INN) |
|---|
| Formula |
C13H20N4O2
|
|---|
| Exact mass |
264.1586
|
|---|
| Mol weight |
264.32
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Respiratory system agent
DG01616 Xanthine derivative
DG01614 Xanthine-type vasodilator
|
|---|
| Remark |
|
|---|
| Efficacy |
Vasodilator (peripheral) |
|---|
| Comment |
Xanthine derivative
|
|---|
| Interaction |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
C CARDIOVASCULAR SYSTEM
C04 PERIPHERAL VASODILATORS
C04A PERIPHERAL VASODILATORS
C04AD Purine derivatives
C04AD01 Pentifylline
D07174 Pentifylline (INN)
Drug groups [BR:br08330]
Respiratory system agent
DG01616 Xanthine derivative
DG01614 Xanthine-type vasodilator
D07174 Pentifylline
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 19
1 C8y C 26.0117 -17.0537
2 C8y C 26.0117 -18.4573
3 N4y N 27.2272 -19.1591
4 C8y C 28.4428 -18.4573
5 N4y N 28.4428 -17.0537
6 C8y C 27.2272 -16.3519
7 N4y N 24.6559 -16.6905
8 C8x C 23.8915 -17.8676
9 N5x N 24.7748 -18.9584
10 O5x O 27.2272 -14.9485
11 O5x O 29.6770 -19.1701
12 C1a C 27.2272 -20.5625
13 C1a C 24.1420 -15.3516
14 C1b C 29.6324 -16.3800
15 C1b C 30.8449 -17.0800
16 C1b C 32.0573 -16.3800
17 C1b C 33.2697 -17.0800
18 C1b C 34.4822 -16.3800
19 C1a C 35.6946 -17.0800
BOND 20
1 1 2 2
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 1 7 1
8 7 8 1
9 8 9 2
10 9 2 1
11 6 10 2
12 4 11 2
13 3 12 1
14 7 13 1
15 5 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 18 19 1
|
|---|
