KEGG   DRUG: Rose bengal sodium I 125
Entry
D05762                      Drug                                   
Name
Rose bengal sodium I 125 (USAN);
Robengatope I-125 (TN)
Formula
C20H2Cl4I4O5. 2Na
Exact mass
1007.4637
Mol weight
1017.63
Structure
Simcomp
Remark
ATC code: S01JA02
Chemical structure group: DG01147
Efficacy
Radioactive agent
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01J DIAGNOSTIC AGENTS
    S01JA Colouring agents
     S01JA02 Rose bengal sodium
      D05762  Rose bengal sodium I 125 (USAN)
Other DBs
PubChem: 47207423
LigandBox: D05762
LinkDB
KCF data

ATOM        35
            1   C8y C    23.0198  -20.7144
            2   C8y C    23.0198  -22.0976
            3   C8y C    24.2177  -22.7892
            4   C8y C    25.4157  -22.0976
            5   C8y C    25.4157  -20.7144
            6   C8x C    24.2177  -20.0228
            7   O2x O    26.6136  -22.7892
            8   C8y C    27.8114  -22.0976
            9   C8y C    27.8114  -20.7144
            10  C8y C    26.6136  -20.0228
            11  C8y C    29.0094  -22.7892
            12  C8y C    30.2073  -22.0976
            13  C8y C    30.2073  -20.7144
            14  C8x C    29.0094  -20.0228
            15  C8y C    26.6136  -17.9480
            16  C8y C    27.8135  -17.2552
            17  C8y C    27.8135  -15.8719
            18  C8y C    26.6155  -15.1803
            19  C8y C    25.4157  -15.8731
            20  C8y C    25.4157  -17.2564
            21  O1a O    21.8220  -22.7892 #-
            22  X   I    21.8220  -20.0228
            23  X   I    24.2177  -24.1723
            24  X   I    29.0094  -24.1722
            25  X   I    31.4092  -20.0205
            26  O5x O    31.4092  -22.7915
            27  X   Cl   24.2365  -17.9374
            28  X   Cl   24.2365  -15.1921
            29  X   Cl   26.6155  -13.7983
            30  X   Cl   28.9947  -15.1898
            31  C6a C    28.9957  -17.9379
            32  O6a O    30.1682  -17.2609 #-
            33  O6a O    28.9958  -19.3309
            34  Z   Na   19.5618  -22.7892 #+
            35  Z   Na   32.0108  -17.2564 #+
BOND        36
            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     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    8  11 2
            13   11  12 1
            14   12  13 1
            15   13  14 2
            16    9  14 1
            17   10  15 1
            18   15  16 2
            19   16  17 1
            20   17  18 2
            21   18  19 1
            22   19  20 2
            23   15  20 1
            24    2  21 1
            25    1  22 1
            26    3  23 1
            27   11  24 1
            28   13  25 1
            29   12  26 2
            30   20  27 1
            31   19  28 1
            32   18  29 1
            33   17  30 1
            34   16  31 1
            35   31  32 1
            36   31  33 2

» Japanese version   » Back

DBGET integrated database retrieval system