KEGG   DRUG: GadofosvesetHelp
Entry
D08005                      Drug                                   

Name
Gadofosveset (INN)
Formula
C33H38N3O14P. Gd. 3H
Exact mass
892.1567
Mol weight
891.9141
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
ATC code: V08CA11
Chemical structure group: DG01188
Efficacy
Diagnostic aid (contrast medium, angiographic)
Comment
gadolinium-based MRI contrast agent
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 V VARIOUS
  V08 CONTRAST MEDIA
   V08C MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
    V08CA Paramagnetic contrast media
     V08CA11 Gadofosveset
      D08005  Gadofosveset (INN)
BRITE hierarchy
Other DBs
CAS: 193901-90-5
PubChem: 96024698
LigandBox: D08005
LinkDB All DBs
KCF data Show

ATOM        52
            1   Z   Gd   18.6900  -19.2500 #3+
            2   C6a C    17.5700  -15.8900
            3   O6a O    16.3100  -16.5900 #-
            4   O6a O    17.5700  -14.4900
            5   C1b C    18.9700  -15.8900
            6   O6a O    15.1200  -18.6900 #-
            7   C6a C    15.1200  -20.0900
            8   C1b C    15.8200  -21.2800
            9   C1b C    17.5700  -22.8900
            10  N1c N    18.7600  -22.1900
            11  O6a O    16.3800  -20.7900 #-
            12  C6a C    16.3800  -22.1900
            13  C1b C    20.0200  -22.8900
            14  C1b C    21.2100  -22.1900
            15  N1c N    21.2100  -20.7900
            16  C1b C    22.4000  -20.0900
            17  C1c C    22.4000  -18.6900
            18  N1c N    21.2100  -17.9900
            19  C1b C    21.2100  -16.5900
            20  C6a C    20.0200  -15.8900
            21  O6a O    18.7600  -16.5900 #-
            22  O6a O    13.7900  -20.4400
            23  O6a O    15.1200  -22.8900
            24  C1b C    22.4000  -21.4900
            25  C6a C    23.5900  -20.7900
            26  O6a O    24.7800  -21.4900
            27  O6a O    23.5900  -19.3900 #-
            28  O6a O    20.0200  -14.4900
            29  C1b C    23.5900  -17.9900
            30  O2b O    24.8500  -18.6900
            31  P1b P    26.0400  -17.9900
            32  O2b O    27.2300  -18.6900
            33  C1y C    28.4900  -17.9900
            34  C1x C    29.6800  -18.6900
            35  C1x C    30.8700  -17.9900
            36  C1z C    30.8700  -16.5900
            37  C1x C    29.6800  -15.8900
            38  C1x C    28.4900  -16.5900
            39  C8y C    31.5700  -15.4000
            40  C8y C    32.1300  -17.2900
            41  C8x C    32.9700  -15.4000
            42  C8x C    33.6700  -14.1400
            43  C8x C    32.9700  -12.9500
            44  C8x C    31.5700  -12.9500
            45  C8x C    30.8700  -14.1400
            46  C8x C    32.1300  -18.6900
            47  C8x C    33.3200  -19.3900
            48  C8x C    34.5100  -18.6900
            49  C8x C    34.5100  -17.2900
            50  C8x C    33.3200  -16.5900
            51  O1c O    26.0400  -16.5900 #-
            52  O1c O    26.0400  -19.3900
BOND        53
            1     2   3 1
            2     2   4 2
            3     2   5 1
            4     6   7 1
            5     7   8 1
            6     9  10 1
            7    11  12 1
            8     9  12 1
            9    10  13 1
            10   13  14 1
            11   14  15 1
            12   15  16 1
            13   16  17 1
            14   17  18 1
            15   18  19 1
            16   19  20 1
            17   20  21 1
            18    8  10 1
            19    7  22 2
            20   12  23 2
            21   15  24 1
            22   24  25 1
            23   25  26 2
            24   25  27 1
            25    5  18 1
            26   20  28 2
            27   17  29 1
            28   29  30 1
            29   30  31 1
            30   31  32 1
            31   32  33 1
            32   33  34 1
            33   34  35 1
            34   35  36 1
            35   36  37 1
            36   37  38 1
            37   33  38 1
            38   36  39 1
            39   36  40 1
            40   39  41 2
            41   41  42 1
            42   42  43 2
            43   43  44 1
            44   44  45 2
            45   39  45 1
            46   40  46 2
            47   46  47 1
            48   47  48 2
            49   48  49 1
            50   49  50 2
            51   40  50 1
            52   31  51 1
            53   31  52 2

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