KEGG   DRUG: Iodohippurate sodium
Entry
D08081                      Drug                                   
Name
Iodohippurate sodium;
Bristol-Myers Squibb Sodium Iodohyppurate (TN)
Formula
C9H7INO3. Na
Exact mass
326.9368
Mol weight
327.05
Structure
Simcomp
Efficacy
Diagnostic aid (contrast medium)
Other DBs
CAS: 133-17-5
PubChem: 96024771
LigandBox: D08081
LinkDB
KCF data

ATOM        15
            1   C8x C    18.8300  -16.5900
            2   C8x C    18.8300  -17.9900
            3   C8x C    20.0900  -18.6900
            4   C8y C    21.2800  -17.9900
            5   C8y C    21.2800  -16.5900
            6   C8x C    20.0900  -15.8900
            7   X   I    22.5400  -15.8200
            8   C5a C    22.5400  -18.6900
            9   N1b N    23.7300  -17.9900
            10  O5a O    22.5400  -20.0900
            11  C1b C    24.9200  -18.6900
            12  C6a C    26.1100  -17.9900
            13  O6a O    27.3000  -18.6900 #-
            14  O6a O    26.1100  -16.5900
            15  Z   Na   29.5400  -18.7600 #+
BOND        14
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     4   8 1
            9     8   9 1
            10    8  10 2
            11    9  11 1
            12   11  12 1
            13   12  13 1
            14   12  14 2

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