KEGG   DRUG: Iobenguane sulfate I 123Help
Entry
D04559                      Drug                                   

Name
Iobenguane sulfate I 123 (USAN);
Adreview (TN);
I 123 mibg (TN)
Product
Formula
(C8H10IN3)2. H2SO4
Exact mass
643.9524
Mol weight
648.2576
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
ATC code: V09IX01
Chemical structure group: DG01193
Product (DG01193): D01729<JP> D04559<US>
Efficacy
Diagnostic aid (adrenomedullary disorders, neuroendocrine tumors), Radioactive agent
Comment
detection of primary or metastatic pheochromocytoma or neuroblastoma
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 V VARIOUS
  V09 DIAGNOSTIC RADIOPHARMACEUTICALS
   V09I TUMOUR DETECTION
    V09IX Other diagnostic radiopharmaceuticals for tumour detection
     V09IX01 Iobenguane (123I)
      D04559  Iobenguane sulfate I 123 (USAN)
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D04559
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D04559
BRITE hierarchy
Other DBs
CAS: 139755-80-9
PubChem: 47206403
LigandBox: D04559
LinkDB All DBs
KCF data Show

ATOM        29
            1   C8x C    21.0690  -15.8367
            2   C8x C    19.8830  -15.1390
            3   C8y C    21.0690  -17.1622
            4   C8x C    18.6970  -15.8367
            5   C8x C    19.8830  -17.8598
            6   C8y C    18.6970  -17.1622
            7   X   I    17.1622  -18.2087
            8   C1b C    22.2550  -17.9296
            9   N1b N    23.3712  -17.2320
            10  C2c C    24.5572  -17.9296
            11  N1a N    25.7432  -17.2320
            12  N2a N    24.5572  -19.2551
            13  S4a S    31.1848  -17.2320
            14  O1d O    31.1848  -15.8367
            15  O1d O    31.1848  -18.6273
            16  O1d O    29.7895  -17.2320
            17  O1d O    32.5801  -17.2320
            18  C8x C    21.0690  -15.8367
            19  C8x C    19.8830  -15.1390
            20  C8x C    18.6970  -15.8367
            21  C8y C    18.6970  -17.1622
            22  C8x C    19.8830  -17.8598
            23  C8y C    21.0690  -17.1622
            24  C1b C    22.2550  -17.9296
            25  N1b N    23.3712  -17.2320
            26  C2c C    24.5572  -17.9296
            27  N1a N    25.7432  -17.2320
            28  N2a N    24.5572  -19.2551
            29  X   I    17.1622  -18.2087
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    15.8200  -20.0900   15.8200  -14.4200
            1    27.1600  -14.4200   27.1600  -20.0900
            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

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