Iothalamate sodium


Entry
D03603                      Drug                                   
Name
Iothalamate sodium (USP);
Sodium iotalamate (JP18);
Conray 400 (TN)
Formula
C11H8I3N2O4. Na
Exact mass
635.7516
Mol weight
635.8954
Structure
Simcomp
Remark
ATC code: V08AA04
Chemical structure group: DG01175
Product (DG01175): D01999<US> D04595<US>
Efficacy
Diagnostic aid (radiopaque medium)
Interaction
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
      D03603  Iothalamate sodium (USP)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D03603  Sodium iotalamate injection
Other DBs
CAS: 1225-20-3
PubChem: 17397713
LigandBox: D03603
NIKKAJI: J7.465I
KCF data

ATOM        21
            1   C8y C    23.2637  -16.5762
            2   C8y C    23.2709  -17.9762
            3   C8y C    22.0620  -18.6823
            4   C8y C    20.8459  -17.9884
            5   C8y C    20.8390  -16.5884
            6   C8y C    22.0477  -15.8823
            7   X   I    19.6229  -15.8945
            8   X   I    22.0689  -20.0823
            9   X   I    24.4727  -15.8701
            10  C6a C    22.0408  -14.4823
            11  O6a O    20.8247  -13.7885
            12  O6a O    23.2497  -13.7762 #-
            13  C5a C    19.6370  -18.6945
            14  O5a O    19.6441  -20.0945
            15  N1b N    18.4213  -18.0006
            16  C1a C    17.2123  -18.7067
            17  N1b N    24.4867  -18.6701
            18  C5a C    25.6956  -17.9638
            19  C1a C    26.9115  -18.6577
            20  O5a O    25.6885  -16.5640
            21  Z   Na   25.4798  -13.7899 #+
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