| Entry |
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| Name |
Benidipine hydrochloride (JP16);
KW 3049;
Coniel (TN)
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| Formula |
C28H31N3O6. HCl
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| Exact mass |
541.198
|
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| Mol weight |
542.0232
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| Structure |
     |
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| Activity |
Vasodilator [coronary]
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| Remark |
Therapeutic category: ATC code: |
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| Target |
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| Pathway |
|
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| Metabolism |
Enzyme: CYP3A4 [HSA: 1576]
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| Interaction |
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| Structure map |
| Calcium channel blocking drugs |
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| Brite |
Therapeutic category of drugs in Japan [BR:br08301]
2 Agents affecting individual organs
21 Cardiovascular agents
217 Vasodilators
2171 Coronary dilators
D02045 Benidipine hydrochloride (JP16)
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
C CARDIOVASCULAR SYSTEM
C08 CALCIUM CHANNEL BLOCKERS
C08C SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
C08CA Dihydropyridine derivatives
C08CA15 Benidipine
D02045 Benidipine hydrochloride (JP16)
Target-based classification of drugs [BR:br08310]
Ion channels
Voltage-gated cation channels
Ca2+ channel, CACN alpha-1, CaVx.x
calcium channel L type [HSA:775 776 778 779] [KO:K04850 K04851 K04853 K04857]
Benidipine [ATC:C08CA15]
D02045 Benidipine hydrochloride (JP16)
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| Other DBs |
CAS: 91599-74-5 PubChem: LigandBox: NIKKAJI: |
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| KCF data |
ATOM 38
1 C2y C 14.4452 -13.8847
2 C2y C 14.4452 -15.2841
3 C1y C 15.6580 -15.9839
4 C2y C 16.8709 -15.2841
5 C2y C 16.8709 -13.8847
6 N1x N 15.6580 -13.1850
7 C1a C 13.2323 -13.1850
8 C1a C 18.0838 -13.1850
9 C8y C 15.6580 -17.3833
10 C8x C 14.4452 -18.0831
11 C8x C 14.4452 -19.4825
12 C8x C 15.6580 -20.1822
13 C8y C 16.8709 -19.4825
14 C8x C 16.8709 -18.0831
15 N2b N 18.0838 -20.1822 #+
16 O3a O 19.5766 -19.1325
17 O3a O 18.0838 -21.5817 #-
18 C7a C 18.0838 -15.9839
19 O7a O 19.2966 -15.2841
20 O6a O 18.0838 -17.3833
21 C1y C 20.5095 -15.9839
22 C1x C 20.5095 -17.3833
23 C1x C 21.7223 -18.0831
24 C1x C 22.9351 -17.3833
25 N1y N 22.9351 -15.9839
26 C1x C 21.7223 -15.2841
27 C1b C 24.1480 -15.2841
28 C8y C 25.3608 -15.9839
29 C7a C 13.2323 -15.9839
30 O7a O 12.0195 -15.2841
31 O6a O 13.2323 -17.3833
32 C1a C 10.8066 -15.9839
33 C8x C 25.3608 -17.3833
34 C8x C 26.5737 -18.0831
35 C8x C 27.7866 -17.3833
36 C8x C 27.7866 -15.9839
37 C8x C 26.5737 -15.2841
38 X Cl 31.7098 -16.8233
BOND 40
1 1 2 2
2 2 3 1
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 1
7 1 7 1
8 5 8 1
9 3 9 1 #Down
10 9 10 2
11 10 11 1
12 11 12 2
13 12 13 1
14 13 14 2
15 9 14 1
16 13 15 1
17 15 16 2
18 15 17 1
19 4 18 1
20 18 19 1
21 18 20 2
22 21 19 1 #Up
23 21 22 1
24 22 23 1
25 23 24 1
26 24 25 1
27 25 26 1
28 21 26 1
29 25 27 1
30 27 28 1
31 2 29 1
32 29 30 1
33 29 31 2
34 30 32 1
35 28 33 2
36 33 34 1
37 34 35 2
38 35 36 1
39 36 37 2
40 28 37 1
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