KEGG   DRUG: Indium In 111 oxyquinoline
Entry
D04526                      Drug                                   
Name
Indium In 111 oxyquinoline (USP);
Indium (111In) oxyquinoline solution;
Indium oxine In 111 (TN)
Product
  Generic
Formula
(C9H6NO)3. In
Exact mass
543.0399
Mol weight
547.2681
Structure
Remark
Product: D04526<US>
Efficacy
Diagnostic aid, Radioactive agent
Other DBs
CAS: 65389-08-4
PubChem: 47206373
LigandBox: D04526
KCF data

ATOM        34
            1   C8x C     8.4700  -13.7200
            2   C8x C     8.4700  -15.1200
            3   C8x C     9.6824  -15.8200
            4   C8y C    10.8949  -15.1200
            5   C8y C    10.8949  -13.7200
            6   C8y C     9.6824  -13.0200
            7   N5x N    12.1073  -13.0200
            8   C8x C    12.1073  -11.6200
            9   C8x C    10.8949  -10.9200
            10  C8x C     9.6824  -11.6200
            11  O1a O    12.1074  -15.8200 #-
            12  Z   In   13.6500  -14.1400 #3+
            13  N5x N    16.2849  -13.7900
            14  C8y C    16.2849  -12.3900
            15  C8y C    15.0724  -11.6900
            16  C8y C    17.4973  -11.6900
            17  C8x C    17.4973  -10.2900
            18  C8x C    16.2849   -9.5900
            19  C8x C    15.0724  -10.2900
            20  C8x C    17.4973  -14.4900
            21  C8x C    18.7097  -13.7900
            22  C8x C    18.7097  -12.3900
            23  O1a O    13.8600  -12.3900 #-
            24  C8x C    12.5300  -17.3600
            25  C8x C    12.5300  -18.7600
            26  C8x C    13.7424  -19.4600
            27  C8y C    14.9549  -18.7600
            28  C8y C    14.9549  -17.3600
            29  N5x N    13.7424  -16.6600
            30  C8x C    16.1673  -19.4600
            31  C8x C    17.3797  -18.7600
            32  C8x C    17.3797  -17.3600
            33  C8y C    16.1673  -16.6600
            34  O1a O    16.1673  -15.2600 #-
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     5   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    6  10 1
            12    4  11 1
            13   13  14 1
            14   14  15 1
            15   14  16 2
            16   16  17 1
            17   17  18 2
            18   18  19 1
            19   15  19 2
            20   13  20 2
            21   20  21 1
            22   21  22 2
            23   16  22 1
            24   15  23 1
            25   24  25 1
            26   25  26 2
            27   26  27 1
            28   27  28 2
            29   28  29 1
            30   24  29 2
            31   27  30 1
            32   30  31 2
            33   31  32 1
            34   32  33 2
            35   28  33 1
            36   33  34 1

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