| Entry |
|
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| Name |
Phenoxymethylpenicillin benzathine (JAN);
Penicillin V benzathine tetrahydrate |
|---|
| Formula |
(C16H18N2O5S)2. C16H20N2. 4H2O
|
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| Exact mass |
1012.3922
|
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| Mol weight |
1013.19
|
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| Structure |
|
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| Simcomp |
|
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| Class |
Antibacterial
DG01710 beta-Lactam antibiotic
DG01713 Penicillin skeleton group
DG01480 Penicillin
DG01778 beta-Lactamase sensitive penicillin
|
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| Remark |
| Product (DG00535): | D00497<US> |
|
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| Efficacy |
Antibacterial, Cell wall biosynthesis inhibitor |
|---|
| Target |
penicillin binding protein |
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| Pathway |
|
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| Interaction |
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
J ANTIINFECTIVES FOR SYSTEMIC USE
J01 ANTIBACTERIALS FOR SYSTEMIC USE
J01C BETA-LACTAM ANTIBACTERIALS, PENICILLINS
J01CE Beta-lactamase sensitive penicillins
J01CE02 Phenoxymethylpenicillin
D02506 Phenoxymethylpenicillin benzathine (JAN)
J01CE10 Benzathine phenoxymethylpenicillin
D02506 Phenoxymethylpenicillin benzathine (JAN)
Drug groups [BR:br08330]
Antibacterial
DG01710 beta-Lactam antibiotic
DG01713 Penicillin skeleton group
DG01480 Penicillin
DG00535 Phenoxymethylpenicillin
D02506 Phenoxymethylpenicillin benzathine
DG01778 beta-Lactamase sensitive penicillin
DG00535 Phenoxymethylpenicillin
D02506 Phenoxymethylpenicillin benzathine
Antimicrobials [BR:br08307]
Antibacterials
Cell wall biosynthesis inhibitor, beta-lactam
beta-Lactamase sensitive penicillin
D02506 Phenoxymethylpenicillin benzathine (JAN)
Drug groups [BR:br08330]
Antibacterial
DG01710 beta-Lactam antibiotic
DG01713 Penicillin skeleton group
DG01480 Penicillin
DG00535 Phenoxymethylpenicillin
DG01778 beta-Lactamase sensitive penicillin
DG00535 Phenoxymethylpenicillin
Antimicrobials abbreviations [BR:br08327]
Antibacterials
Cell wall biosynthesis inhibitor, beta-lactam
beta-Lactamase sensitive penicillin
DG00535 Phenoxymethylpenicillin
|
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 70
1 O0 O 39.9700 -19.9500
2 C8x C 32.3571 -16.5218
3 C8x C 32.3571 -15.1211
4 C8x C 33.5730 -14.4209
5 C8x C 34.7818 -15.1211
6 C8y C 34.7818 -16.5218
7 C8x C 33.5730 -17.2222
8 C1b C 35.9860 -17.2222
9 N1b N 37.1957 -16.5290
10 C1b C 38.4053 -17.2293
11 C1b C 39.6150 -16.5359
12 N1b N 40.8247 -17.2363
13 C1b C 42.0344 -16.5431
14 C8y C 43.2441 -17.2434
15 C8x C 44.4555 -16.5460
16 C8x C 45.6651 -17.2463
17 C8x C 45.6634 -18.6441
18 C8x C 44.4521 -19.3415
19 C8x C 43.2422 -18.6412
20 C1y C 25.3134 -17.1109
21 C5x C 25.3134 -18.5153
22 N1y N 26.7179 -18.5153
23 C1y C 26.7179 -17.1109
24 C1y C 28.0520 -18.9366
25 C1z C 28.8946 -17.8130
26 S2x S 28.0520 -16.6895
27 C1a C 29.8778 -18.7962
28 C1a C 29.8778 -16.8299
29 C6a C 28.5436 -20.2708
30 O6a O 29.9479 -20.2708
31 O6a O 27.7008 -21.3942
32 N1b N 24.1196 -16.4086
33 C5a C 22.9258 -17.1109
34 O5x O 24.1196 -19.2175
35 O5a O 22.9258 -18.5153
36 C1b C 21.7067 -16.4135
37 O2a O 20.5146 -17.1086
38 C8y C 19.3014 -16.4081
39 C8x C 19.3011 -14.9790
40 C8x C 18.0888 -14.2795
41 C8x C 16.8768 -14.9795
42 C8x C 16.8772 -16.4087
43 C8x C 18.0895 -17.1082
44 O0 O 39.9700 -19.9500
45 O0 O 39.9700 -19.9500
46 O0 O 39.9700 -19.9500
47 C1y C 25.3134 -17.1109
48 C5x C 25.3134 -18.5153
49 N1y N 26.7179 -18.5153
50 C1y C 26.7179 -17.1109
51 S2x S 28.0520 -16.6895
52 C1z C 28.8946 -17.8130
53 C1y C 28.0520 -18.9366
54 C6a C 28.5436 -20.2708
55 O6a O 29.9479 -20.2708
56 O6a O 27.7008 -21.3942
57 C1a C 29.8778 -18.7962
58 C1a C 29.8778 -16.8299
59 O5x O 24.1196 -19.2175
60 N1b N 24.1196 -16.4086
61 C5a C 22.9258 -17.1109
62 O5a O 22.9258 -18.5153
63 C1b C 21.7067 -16.4135
64 O2a O 20.5146 -17.1086
65 C8y C 19.3014 -16.4081
66 C8x C 19.3011 -14.9790
67 C8x C 18.0888 -14.2795
68 C8x C 16.8768 -14.9795
69 C8x C 16.8772 -16.4087
70 C8x C 18.0895 -17.1082
BOND 71
1 2 3 2
2 3 4 1
3 4 5 2
4 5 6 1
5 6 7 2
6 7 2 1
7 6 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 11 12 1
12 12 13 1
13 13 14 1
14 14 15 2
15 15 16 1
16 16 17 2
17 17 18 1
18 18 19 2
19 19 14 1
20 20 21 1
21 21 22 1
22 22 23 1
23 20 23 1
24 22 24 1
25 24 25 1
26 25 26 1
27 23 26 1
28 25 27 1
29 25 28 1
30 24 29 1 #Down
31 29 30 1
32 29 31 2
33 20 32 1 #Up
34 32 33 1
35 21 34 2
36 33 35 2
37 33 36 1
38 36 37 1
39 37 38 1
40 38 39 2
41 39 40 1
42 40 41 2
43 41 42 1
44 42 43 2
45 38 43 1
46 47 48 1
47 48 49 1
48 49 50 1
49 47 50 1
50 49 53 1
51 53 52 1
52 52 51 1
53 50 51 1
54 52 57 1
55 52 58 1
56 53 54 1 #Down
57 54 55 1
58 54 56 2
59 47 60 1 #Up
60 60 61 1
61 48 59 2
62 61 62 2
63 61 63 1
64 63 64 1
65 64 65 1
66 65 66 2
67 66 67 1
68 67 68 2
69 68 69 1
70 69 70 2
71 65 70 1
BRACKET 1 37.8000 -20.7900 37.8000 -19.1100
1 40.4600 -19.1100 40.4600 -20.7900
1 4
ORIGINAL 1 1
REPEAT 1 45 46 47
2 16.3800 -21.7000 16.3800 -13.7900
2 31.5700 -13.7900 31.5700 -21.7000
2 2
ORIGINAL 2 20 21 22 23 26 25 24 29 30 31 27 28 32 35 33 34
2 36 37 38 39 40 41 42 43 44
REPEAT 2 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63
2 64 65 66 67 68 69 70 71 72
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