Entry |
|
Name |
Rifamexil (USAN/INN) |
Formula |
C42H55N3O11S
|
Exact mass |
809.3557
|
Mol weight |
809.9646
|
Structure |
|
Simcomp |
|
Class |
|
Efficacy |
Antibacterial |
Comment |
Rifamycin [DR: D02549] derivative
|
Interaction |
|
Brite |
Drug groups [BR:br08330]
Antibacterial
DG01966 Antitubercular
DG01598 Rifamycin antibiotic
D02552 Rifamexil
Antimicrobials [BR:br08307]
Antibacterials
Nucleic acid synthesis inhibitor
Rifamycin
D02552 Rifamexil (USAN/INN)
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 57
1 C1c C 27.2300 -11.6200
2 C1c C 27.2300 -13.0900
3 O1a O 29.6800 -13.0200
4 C1c C 29.6800 -11.6200
5 C1c C 28.4200 -10.9200
6 C2b C 32.0600 -11.6200
7 C1c C 30.8700 -10.9200
8 C5a C 33.3200 -13.7900
9 C2c C 34.5100 -13.0900
10 C2b C 34.5100 -11.6200
11 C2b C 33.3200 -10.9200
12 C1a C 30.8700 -9.5200
13 C1a C 28.4200 -9.5200
14 O1a O 26.0400 -10.9200
15 C1a C 35.7000 -13.7900
16 O5a O 32.1300 -13.0900
17 N1b N 33.3200 -15.4700
18 C1c C 26.0400 -13.7900
19 O7a O 24.8500 -13.0900
20 C1c C 26.0400 -15.4700
21 C8y C 32.1300 -16.1700
22 C8y C 32.1300 -17.5700
23 C8y C 30.8700 -15.4700
24 C8y C 29.6800 -16.1700
25 C8y C 29.6800 -17.5700
26 C8y C 30.8700 -18.2700
27 C8y C 28.4900 -15.4700
28 C8y C 27.2300 -16.1700
29 C8y C 27.2300 -17.5700
30 C8y C 28.4900 -18.2700
31 O1a O 30.8700 -14.0700
32 O1a O 28.4900 -14.0700
33 C1a C 26.0400 -11.9700
34 C7a C 23.5900 -12.3900
35 C1a C 22.4000 -13.0900
36 O6a O 23.5900 -10.9900
37 C1c C 24.8500 -16.1700
38 O2a O 23.6600 -15.4700
39 C2b C 24.8500 -17.5700
40 C1a C 24.8500 -14.4900
41 C1a C 22.4700 -16.1700
42 C2b C 23.6600 -18.2700
43 O2a O 23.6600 -19.6700
44 O2x O 26.0400 -18.2700
45 C1z C 26.0400 -19.6700
46 C5x C 28.4900 -19.6700
47 C1a C 26.0400 -21.0700
48 C1a C 27.2300 -14.7700
49 N5x N 30.8700 -19.6700
50 C8y C 33.3200 -19.6700
51 S2x S 33.3200 -18.2700
52 O5x O 29.6100 -20.3700
53 N1c N 34.5324 -20.3700
54 C1b C 35.7449 -19.6700
55 C1b C 34.5324 -21.7700
56 C1a C 35.7449 -22.4700
57 C1a C 36.9573 -20.3700
BOND 61
1 1 2 1
2 4 3 1 #Down
3 4 5 1
4 1 5 1
5 6 7 1
6 4 7 1
7 8 9 1
8 9 10 2
9 10 11 1
10 6 11 2
11 7 12 1 #Up
12 5 13 1 #Down
13 1 14 1 #Down
14 9 15 1
15 8 16 2
16 8 17 1
17 2 18 1
18 18 19 1 #Up
19 18 20 1
20 17 21 1
21 21 22 1
22 21 23 2
23 23 24 1
24 24 25 1
25 25 26 1
26 24 27 2
27 27 28 1
28 28 29 2
29 29 30 1
30 25 30 2
31 23 31 1
32 27 32 1
33 2 33 1 #Up
34 19 34 1
35 34 35 1
36 34 36 2
37 26 22 2
38 20 37 1
39 37 38 1 #Down
40 37 39 1
41 20 40 1 #Down
42 38 41 1
43 39 42 2
44 42 43 1
45 29 44 1
46 44 45 1
47 43 45 1
48 30 46 1
49 45 46 1
50 45 47 1 #Down
51 28 48 1
52 26 49 1
53 50 51 1
54 22 51 1
55 52 46 2
56 49 50 2
57 50 53 1
58 53 54 1
59 53 55 1
60 55 56 1
61 54 57 1
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