Entry
Name
Formula
C12H11I3N2O4
Exact mass
627.7853
Mol weight
627.9402
Structure
Mol file KCF file DB search
Remark
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303 ]
V VARIOUS
V08 CONTRAST MEDIA
V08A X-RAY CONTRAST MEDIA, IODINATED
V08AA Watersoluble, nephrotropic, high osmolar X-ray contrast media
V08AA02 Metrizoic acid
C14165 Metrizoic acid
BRITE hierarchy
Other DBs
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KCF data
Show ATOM 21
1 C8y C 21.7165 -17.9130
2 C8y C 21.7165 -16.5136
3 C8y C 22.9295 -18.6128
4 N1c N 20.5037 -18.6128
5 C8y C 22.9295 -15.8138
6 X I 20.5037 -15.8138
7 C8y C 24.1423 -17.9130
8 X I 22.9295 -20.0123
9 C5a C 19.2908 -17.9130
10 C8y C 24.1423 -16.5136
11 C6a C 22.9295 -14.4143
12 N1b N 25.3552 -18.6128
13 C1a C 18.0779 -18.6128
14 O5a O 19.2908 -16.5136
15 X I 25.3552 -15.8138
16 O6a O 21.7165 -13.7146
17 O6a O 24.1423 -13.7146
18 C5a C 26.5681 -17.9130
19 C1a C 27.7810 -18.6128
20 O5a O 26.5681 -16.5136
21 C1a C 20.5037 -20.0123
BOND 21
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 1
10 5 11 1
11 7 12 1
12 9 13 1
13 9 14 2
14 10 15 1
15 11 16 2
16 11 17 1
17 12 18 1
18 18 19 1
19 18 20 2
20 7 10 2
21 4 21 1