| | COMPOUND: C08105 | |
Entry |
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Name |
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Formula |
C18H16N6O8S3. 2Na
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Exact mass |
585.9987
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Mol weight |
586.5296
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Structure |
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Remark |
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Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
J ANTIINFECTIVES FOR SYSTEMIC USE
J01 ANTIBACTERIALS FOR SYSTEMIC USE
J01D OTHER BETA-LACTAM ANTIBACTERIALS
J01DC Second-generation cephalosporins
J01DC06 Cefonicid
D00912 Cefonicid sodium (USP)
Drug groups [BR:br08330]
Antibacterial
DG01710 beta-Lactam antibiotic
DG01714 Cephalosporin skeleton group
DG01488 Cephem
DG00562 Cefonicid
D00912 Cefonicid sodium
DG01775 Second-generation cephalosporin
DG00562 Cefonicid
D00912 Cefonicid sodium
Antimicrobials [BR:br08307]
Antibacterials
Cell wall biosynthesis inhibitor, beta-lactam
Second-generation cephalosporin
D00912 Cefonicid sodium (USP)
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Other DBs |
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KCF data |
ATOM 37
1 C1y C 25.8856 -14.8911
2 N1y N 25.8856 -16.2901
3 C2y C 27.0972 -16.9895
4 C2y C 28.3089 -16.2901
5 C1x C 28.3089 -14.8911
6 S2x S 27.0972 -14.1916
7 C1y C 24.4865 -14.8911
8 C5x C 24.4865 -16.2901
9 N1b N 23.2751 -14.1916
10 C5a C 22.0633 -14.8911
11 O5a O 22.0633 -16.2901
12 O5x O 23.2751 -16.9895
13 C1c C 20.8517 -14.1916
14 C1b C 29.5391 -17.0006
15 C6a C 27.0972 -18.3883
16 O6a O 25.8688 -19.0978
17 O6a O 28.2919 -19.0783 #-
18 C8y C 19.6206 -14.9027
19 C8x C 18.4104 -14.2040
20 C8x C 17.2003 -14.9027
21 C8x C 17.2003 -16.2999
22 C8x C 18.4104 -16.9987
23 C8x C 19.6206 -16.2999
24 O1a O 20.8517 -12.7878
25 S2a S 30.7556 -16.2985
26 C8y C 31.9670 -16.9982
27 N5x N 32.3909 -18.2439
28 N5x N 33.7905 -18.2743
29 N5x N 34.2521 -16.9526
30 N4y N 33.1376 -16.1053
31 C1b C 33.1363 -14.6948
32 S4a S 34.3332 -14.0024
33 O1d O 35.5461 -13.3022 #-
34 O1d O 33.6284 -12.7824
35 O1d O 35.0295 -15.2075
36 Z Na 37.0430 -13.3045 #+
37 Z Na 29.8201 -19.1801 #+
BOND 38
1 1 2 1
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 1
6 1 6 1
7 1 7 1
8 7 8 1
9 2 8 1
10 7 9 1 #Up
11 9 10 1
12 10 11 2
13 8 12 2
14 10 13 1
15 4 14 1
16 3 15 1
17 15 16 2
18 15 17 1
19 13 18 1
20 18 19 2
21 19 20 1
22 20 21 2
23 21 22 1
24 22 23 2
25 18 23 1
26 13 24 1 #Up
27 14 25 1
28 25 26 1
29 26 27 2
30 27 28 1
31 28 29 2
32 29 30 1
33 26 30 1
34 30 31 1
35 31 32 1
36 32 33 1
37 32 34 2
38 32 35 2
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