COMPOUND: C14164
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Entry
C14164 Compound
Name
Acetrizoic acid
Formula
C9H6I3NO3
Exact mass
556.7482
Mol weight
556.8623
Structure
Mol file
KCF file
DB search
Remark
Same as:
D02457
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
V08AA07 Acetrizoic acid
D02457 Acetrizoic acid
BRITE hierarchy
Other DBs
CAS:
85-36-9
PubChem:
7846976
ChEBI:
34521
NIKKAJI:
J4.917D
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KCF data
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ATOM 16
1 C8x C 19.6863 -17.2128
2 C8y C 19.6863 -15.8134
3 C8y C 20.8992 -17.9125
4 C8y C 20.8992 -15.1136
5 X I 18.4735 -15.1136
6 C8y C 22.1121 -17.2128
7 X I 20.8992 -19.3120
8 C8y C 22.1121 -15.8134
9 C6a C 20.8992 -13.7142
10 N1b N 23.3249 -17.9125
11 X I 23.3249 -15.1136
12 O6a O 19.6863 -13.0144
13 O6a O 22.1121 -13.0144
14 C5a C 24.5378 -17.2128
15 C1a C 25.7507 -17.9125
16 O5a O 24.5378 -15.8134
BOND 16
1 1 2 1
2 1 3 2
3 2 4 2
4 2 5 1
5 3 6 1
6 3 7 1
7 4 8 1
8 4 9 1
9 6 10 1
10 8 11 1
11 9 12 2
12 9 13 1
13 10 14 1
14 14 15 1
15 14 16 2
16 6 8 2
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