KEGG   DRUG: Iothalamic acidHelp
Entry
D01258                      Drug                                   

Name
Iothalamic acid (USP);
Iotalamic acid (JP17/INN)
Formula
C11H9I3N2O4
Exact mass
613.7696
Mol weight
613.9136
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
ATC code: V08AA04
Chemical structure group: DG01175
Product (DG01175): D01999<US> D04595<US>
Efficacy
Diagnostic aid (radiopaque medium)
Interaction
Drug interaction
Structure map
map07110  Benzoic acid family
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
     V08AA04 Iotalamic acid
      D01258  Iothalamic acid (USP)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01258  Iotalamic acid
BRITE hierarchy
Other DBs
CAS: 2276-90-6
PubChem: 7848321
ChEBI: 31713
ChEMBL: CHEMBL1201300
LigandBox: D01258
NIKKAJI: J7.384I
LinkDB All DBs
KCF data Show

ATOM        20
            1   C8y C    24.3139  -16.3663
            2   C8y C    24.3211  -17.7663
            3   C8y C    23.1122  -18.4724
            4   C8y C    21.8961  -17.7785
            5   C8y C    21.8892  -16.3785
            6   C8y C    23.0979  -15.6724
            7   X   I    20.6731  -15.6846
            8   X   I    23.1191  -19.8724
            9   X   I    25.5229  -15.6602
            10  C6a C    23.0910  -14.2724
            11  O6a O    21.8749  -13.5786
            12  O6a O    24.2999  -13.5663
            13  C5a C    20.6872  -18.4846
            14  O5a O    20.6943  -19.8846
            15  N1b N    19.4714  -17.7907
            16  C1a C    18.2624  -18.4968
            17  N1b N    25.5369  -18.4602
            18  C5a C    26.7458  -17.7539
            19  C1a C    27.9617  -18.4478
            20  O5a O    26.7387  -16.3541
BOND        20
            1     6  10 1
            2     4   5 1
            3    10  11 2
            4     5   6 2
            5    10  12 1
            6     6   1 1
            7     4  13 1
            8    13  14 2
            9     5   7 1
            10   13  15 1
            11    1   2 2
            12   15  16 1
            13    3   8 1
            14    2  17 1
            15    2   3 1
            16   17  18 1
            17    1   9 1
            18   18  19 1
            19    3   4 2
            20   18  20 2

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