KEGG   DRUG: Iobenguane sulfate I 131
Entry
D04560                      Drug                                   
Name
Iobenguane sulfate I 131 (USAN);
Iobenguane sulfate I 131 (TN)
Formula
(C8H10IN3)2. H2SO4
Exact mass
651.9529
Mol weight
648.2576
Structure
Simcomp
Remark
ATC code: V09IX02 V10XA02
Chemical structure group: DG01194
Product (DG01194): D03308<JP>
Efficacy
Diagnostic aid, Radioactive agent
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 V VARIOUS
  V09 DIAGNOSTIC RADIOPHARMACEUTICALS
   V09I TUMOUR DETECTION
    V09IX Other diagnostic radiopharmaceuticals for tumour detection
     V09IX02 Iobenguane (131I)
      D04560  Iobenguane sulfate I 131 (USAN)
  V10 THERAPEUTIC RADIOPHARMACEUTICALS
   V10X OTHER THERAPEUTIC RADIOPHARMACEUTICALS
    V10XA Iodine (131I) compounds
     V10XA02 Iobenguane (131I)
      D04560  Iobenguane sulfate I 131 (USAN)
Other DBs
CAS: 149210-33-3
PubChem: 47206404
LigandBox: D04560
LinkDB
KCF data

ATOM        29
            1   C8x C    27.4390  -13.1067
            2   C8x C    26.2530  -12.4090
            3   C8y C    27.4390  -14.4322
            4   C8x C    25.0670  -13.1067
            5   C8x C    26.2530  -15.1298
            6   C8y C    25.0670  -14.4322
            7   X   I    23.5322  -15.4787
            8   C1b C    28.6250  -15.1996
            9   N1b N    29.7412  -14.5020
            10  C2c C    30.9272  -15.1996
            11  N1a N    32.1132  -14.5020
            12  N2a N    30.9272  -16.5251
            13  S4a S    37.5548  -14.5020
            14  O1d O    37.5548  -13.1067
            15  O1d O    37.5548  -15.8973
            16  O1d O    36.1595  -14.5020
            17  O1d O    38.9501  -14.5020
            18  C8x C    27.4390  -13.1067
            19  C8x C    26.2530  -12.4090
            20  C8x C    25.0670  -13.1067
            21  C8y C    25.0670  -14.4322
            22  C8x C    26.2530  -15.1298
            23  C8y C    27.4390  -14.4322
            24  C1b C    28.6250  -15.1996
            25  N1b N    29.7412  -14.5020
            26  C2c C    30.9272  -15.1996
            27  N1a N    32.1132  -14.5020
            28  N2a N    30.9272  -16.5251
            29  X   I    23.5322  -15.4787
BOND        28
            1    13  14 2
            2    13  15 2
            3    13  16 1
            4    13  17 1
            5     4   6 2
            6     5   6 1
            7     6   7 1
            8     3   8 1
            9     1   2 2
            10    8   9 1
            11    1   3 1
            12    9  10 1
            13    2   4 1
            14   10  11 1
            15    3   5 2
            16   10  12 2
            17   20  21 2
            18   22  21 1
            19   21  29 1
            20   23  24 1
            21   18  19 2
            22   24  25 1
            23   18  23 1
            24   25  26 1
            25   19  20 1
            26   26  27 1
            27   23  22 2
            28   26  28 2
BRACKET     1    22.1200  -17.2900   22.1200  -11.6200
            1    33.4600  -11.6200   33.4600  -17.2900
            1  2
 ORIGINAL  1    1   2   4   6   5   3   8   9  10  11  12   7
 REPEAT    1   18  19  20  21  22  23  24  25  26  27  28  29

» Japanese version   » Back

DBGET integrated database retrieval system