KEGG   DRUG: Gadofosveset trisodiumHelp
Entry
D04286                      Drug                                   

Name
Gadofosveset trisodium (USAN);
Ablavar (TN)
Formula
C33H38N3O14P. 3Na. Gd. H2O
Exact mass
976.1131
Mol weight
975.8749
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
ATC code: V08CA11
Chemical structure group: DG01188
Efficacy
Diagnostic aid (contrast medium, angiographic)
Comment
Diagnostic contrast agent for vascular enhancement of MRI scans
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
      D04286  Gadofosveset trisodium (USAN)
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D04286
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D04286
BRITE hierarchy
Other DBs
CAS: 211570-55-7
PubChem: 47206219
LigandBox: D04286
LinkDB All DBs
KCF data Show

ATOM        56
            1   Z   Gd   22.1900  -28.9100 #3+
            2   Z   Na   32.9000  -31.2200 #+
            3   C6a C    21.0700  -25.5500
            4   O6a O    19.8100  -26.2500 #-
            5   O6a O    21.0700  -24.1500
            6   C1b C    22.4700  -25.5500
            7   O6a O    18.6200  -28.3500 #-
            8   C6a C    18.6200  -29.7500
            9   C1b C    19.3200  -30.9400
            10  C1b C    21.0700  -32.5500
            11  N1c N    22.2600  -31.8500
            12  O6a O    19.8800  -30.4500 #-
            13  C6a C    19.8800  -31.8500
            14  C1b C    23.5200  -32.5500
            15  C1b C    24.7100  -31.8500
            16  N1c N    24.7100  -30.4500
            17  C1b C    25.9000  -29.7500
            18  C1c C    25.9000  -28.3500
            19  N1c N    24.7100  -27.6500
            20  C1b C    24.7100  -26.2500
            21  C6a C    23.5200  -25.5500
            22  O6a O    22.2600  -26.2500 #-
            23  O6a O    17.2900  -30.1000
            24  O6a O    18.6200  -32.5500
            25  C1b C    25.9000  -31.1500
            26  C6a C    27.0900  -30.4500
            27  O6a O    28.2800  -31.1500
            28  O6a O    27.0900  -29.0500 #-
            29  O6a O    23.5200  -24.1500
            30  C1b C    27.0900  -27.6500
            31  O2b O    28.3500  -28.3500
            32  P1b P    29.5400  -27.6500
            33  O2b O    30.7300  -28.3500
            34  C1y C    31.9900  -27.6500
            35  C1x C    33.1800  -28.3500
            36  C1x C    34.3700  -27.6500
            37  C1z C    34.3700  -26.2500
            38  C1x C    33.1800  -25.5500
            39  C1x C    31.9900  -26.2500
            40  C8y C    35.0700  -25.0600
            41  C8y C    35.6300  -26.9500
            42  C8x C    36.4700  -25.0600
            43  C8x C    37.1700  -23.8000
            44  C8x C    36.4700  -22.6100
            45  C8x C    35.0700  -22.6100
            46  C8x C    34.3700  -23.8000
            47  C8x C    35.6300  -28.3500
            48  C8x C    36.8200  -29.0500
            49  C8x C    38.0100  -28.3500
            50  C8x C    38.0100  -26.9500
            51  C8x C    36.8200  -26.2500
            52  O1c O    29.5400  -26.2500 #-
            53  O1c O    29.5400  -29.0500
            54  O0  O    17.3600  -26.3200
            55  Z   Na   32.9000  -31.2200 #+
            56  Z   Na   32.9000  -31.2200 #+
BOND        53
            1     3   4 1
            2     3   5 2
            3     3   6 1
            4     7   8 1
            5     8   9 1
            6    10  11 1
            7    12  13 1
            8    10  13 1
            9    11  14 1
            10   14  15 1
            11   15  16 1
            12   16  17 1
            13   17  18 1
            14   18  19 1
            15   19  20 1
            16   20  21 1
            17   21  22 1
            18    9  11 1
            19    8  23 2
            20   13  24 2
            21   16  25 1
            22   25  26 1
            23   26  27 2
            24   26  28 1
            25    6  19 1
            26   21  29 2
            27   18  30 1
            28   30  31 1
            29   31  32 1
            30   32  33 1
            31   33  34 1
            32   34  35 1
            33   35  36 1
            34   36  37 1
            35   37  38 1
            36   38  39 1
            37   34  39 1
            38   37  40 1
            39   37  41 1
            40   40  42 2
            41   42  43 1
            42   43  44 2
            43   44  45 1
            44   45  46 2
            45   40  46 1
            46   41  47 2
            47   47  48 1
            48   48  49 2
            49   49  50 1
            50   50  51 2
            51   41  51 1
            52   32  52 1
            53   32  53 2
BRACKET     1    31.8500  -32.2000   31.8500  -30.1700
            1    34.5100  -30.1700   34.5100  -32.2000
            1  3
 ORIGINAL  1    2
 REPEAT    1   55  56

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