KEGG   DRUG: Pentetate indium disodium In 111
Entry
D05421                      Drug                                   
Name
Pentetate indium disodium In 111 (USAN)
Product
INDIUM DTPA IN 111 (Medi-Physics)
Formula
C14H18N3O10. In. 2Na
Exact mass
544.9839
Mol weight
549.10
Structure
Simcomp
Remark
ATC code: V09AX01
Chemical structure group: DG01189
Product (DG01189): D04527<JP> D05421<US>
Efficacy
Diagnostic aid, Radioactive agent
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 V VARIOUS
  V09 DIAGNOSTIC RADIOPHARMACEUTICALS
   V09A CENTRAL NERVOUS SYSTEM
    V09AX Other central nervous system diagnostic radiopharmaceuticals
     V09AX01 Indium (111In) pentetic acid
      D05421  Pentetate indium disodium In 111 (USAN) <US>
Other DBs
CAS: 60662-14-8
PubChem: 47207093
LigandBox: D05421
LinkDB
KCF data

ATOM        30
            1   Z   In   28.2060  -19.7453 #3+
            2   Z   Na   21.3420  -22.5989 #+
            3   Z   Na   21.3610  -21.2561 #+
            4   C1b C    28.0000  -22.9600
            5   C1b C    29.4000  -22.9600
            6   N1c N    30.1000  -21.7476
            7   N1c N    27.3000  -21.7476
            8   N1c N    25.9000  -19.3227
            9   C1b C    25.2000  -20.5351
            10  C1b C    25.9000  -21.7476
            11  C1b C    31.5000  -21.7476
            12  C6a C    32.2000  -20.5351
            13  O6a O    31.5000  -19.3227 #-
            14  O6a O    29.4700  -17.3376 #-
            15  C6a C    30.8700  -17.0576
            16  C1b C    30.8799  -20.3377
            17  O6a O    31.4269  -15.5871
            18  O6a O    33.5998  -20.5351
            19  O6a O    27.8799  -17.3428 #-
            20  C6a C    26.5276  -16.9805
            21  C1b C    25.5377  -17.9704
            22  O6a O    26.1727  -15.6564
            23  C1b C    24.5000  -19.3227
            24  C6a C    23.7988  -18.1082
            25  O6a O    22.4002  -18.1083
            26  O6a O    24.4898  -16.9117 #-
            27  C1b C    26.6000  -22.9600
            28  C6a C    25.2000  -22.9600
            29  O6a O    24.5000  -24.1724
            30  O6a O    24.5000  -21.7476 #-
BOND        26
            1     4   5 1
            2     5   6 1
            3     4   7 1
            4     8   9 1
            5     9  10 1
            6     7  10 1
            7     6  11 1
            8    11  12 1
            9    12  13 1
            10   14  15 1
            11    6  16 1
            12   16  15 1
            13   15  17 2
            14   12  18 2
            15   19  20 1
            16   20  21 1
            17    8  21 1
            18   20  22 2
            19    8  23 1
            20   23  24 1
            21   24  25 2
            22   24  26 1
            23    7  27 1
            24   27  28 1
            25   28  29 2
            26   28  30 1

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