KEGG   DRUG: Iodocholesterol I 131
Entry
D04567                      Drug                                   
Name
Iodocholesterol I 131 (USAN);
Iodocholesterol (131I) (INN)
Formula
C27H45IO
Exact mass
516.2532
Mol weight
512.5501
Structure
Simcomp
Remark
ATC code: V09XA02
Efficacy
Radioactive agent
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 V VARIOUS
  V09 DIAGNOSTIC RADIOPHARMACEUTICALS
   V09X OTHER DIAGNOSTIC RADIOPHARMACEUTICALS
    V09XA Iodine (131I) compounds
     V09XA02 Iodocholesterol (131I)
      D04567  Iodocholesterol I 131 (USAN)
Other DBs
CAS: 42220-21-3
PubChem: 47206411
LigandBox: D04567
NIKKAJI: J16.486K
LinkDB
KCF data

ATOM        29
            1   C1y C    27.3692  -17.9944
            2   C1y C    26.2001  -18.6691
            3   C1z C    27.3692  -16.6451
            4   C1x C    29.7071  -17.9944
            5   C1y C    25.0370  -17.9944
            6   C1x C    26.1943  -20.0184
            7   C1y C    28.5498  -15.9705
            8   C1x C    26.2001  -15.9705
            9   C1a C    27.3632  -15.2959
            10  C1x C    29.7071  -16.6451
            11  C1z C    23.8564  -18.6691
            12  C1x C    25.0370  -16.6451
            13  C2x C    25.0370  -20.6931
            14  C1c C    28.5498  -14.6213
            15  C2y C    23.8564  -20.0184
            16  C1x C    22.6933  -17.9944
            17  C1b C    23.8447  -17.3198
            18  C1b C    29.7421  -13.9349
            19  C1a C    27.3516  -13.9293
            20  C1x C    22.6933  -20.6931
            21  C1x C    21.5242  -18.6691
            22  C1b C    30.9343  -14.6269
            23  C1y C    21.5242  -20.0184
            24  C1b C    32.1266  -13.9349
            25  O1a O    20.3436  -20.6931
            26  C1c C    33.3246  -14.6269
            27  C1a C    34.5169  -13.9407
            28  C1a C    33.3188  -16.2842
            29  X   I    22.6332  -16.6340
BOND        32
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 1
            14   11  15 1
            15   11  16 1
            16   11  17 1 #Up
            17   14  18 1
            18   14  19 1 #Down
            19   15  20 1
            20   16  21 1
            21   18  22 1
            22   20  23 1
            23   22  24 1
            24   23  25 1 #Up
            25   24  26 1
            26   26  27 1
            27   26  28 1
            28    7  10 1
            29    8  12 1
            30   13  15 2
            31   21  23 1
            32   17  29 1

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