KEGG   DRUG: Gadoxetate disodium
Entry
D04288                      Drug                                   
Name
Gadoxetate disodium (USAN);
Gadoxetate sodium (JAN);
Eovist (TN)
Product
EOVIST (Bayer HealthCare Pharmaceuticals)
Formula
C23H28N3O11. 2Na. Gd
Exact mass
726.076
Mol weight
725.7115
Structure
Simcomp
Remark
Therapeutic category: 7290
ATC code: V08CA10
Chemical structure group: DG01187
Product (DG01187): D04288<JP/US>
Efficacy
Diagnostic aid (contrast medium)
Comment
Paramagnetic contrast agent for enhancement in magnetic resonance imaging (MRI)
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 V VARIOUS
  V08 CONTRAST MEDIA
   V08C MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
    V08CA Paramagnetic contrast media
     V08CA10 Gadoxetic acid
      D04288  Gadoxetate disodium (USAN) <JP/US>
Therapeutic category of drugs in Japan [BR:br08301]
 7  Agents not mainly for therapeutic purpose
  72  Intracorporeal diagnostic agents
   729  Miscellaneous
    7290  Miscellaneous
     D04288  Gadoxetate disodium (USAN); Gadoxetate sodium (JAN)
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D04288
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D04288
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D04288
Other DBs
CAS: 135326-22-6
PubChem: 47206221
LigandBox: D04288
LinkDB
KCF data

ATOM        40
            1   Z   Na   21.6201  -12.2052 #+
            2   Z   Gd   11.4183   -8.8947 #3+
            3   C6a C    10.2733   -5.5202
            4   O6a O     9.0608   -6.2200 #-
            5   O6a O    10.2736   -4.1301
            6   C1b C    11.6733   -5.5202
            7   O6a O     7.8651   -8.3300 #-
            8   C6a C     7.8651   -9.7300
            9   C1b C     8.5651  -10.9424
            10  C1b C    10.2900  -12.5300
            11  N1c N    11.5024  -11.8300
            12  O6a O     9.0776  -10.4300 #-
            13  C6a C     9.0776  -11.8300
            14  C1b C    12.7149  -12.5300
            15  C1b C    13.9273  -11.8300
            16  N1c N    13.9273  -10.4300
            17  C1b C    15.1397   -9.7300
            18  C1c C    15.1397   -8.3300
            19  N1c N    13.9273   -7.6300
            20  C1b C    13.9273   -6.2300
            21  C6a C    12.7149   -5.5300
            22  O6a O    11.5024   -6.2300 #-
            23  O6a O     6.4894  -10.0987
            24  O6a O     7.8652  -12.5300
            25  C1b C    15.1397  -11.1300
            26  C6a C    16.3373  -10.4385
            27  O6a O    17.5256  -11.1245
            28  O6a O    16.3374   -9.0303 #-
            29  O6a O    12.7149   -4.1302
            30  C1b C    16.3324   -7.6300
            31  C8y C    17.5449   -8.3300
            32  C8x C    17.5449   -9.7300
            33  C8x C    18.7573  -10.4300
            34  C8y C    19.9698   -9.7300
            35  C8x C    19.9698   -8.3300
            36  C8x C    18.7573   -7.6300
            37  O2a O    21.1624  -10.4300
            38  C1b C    22.3749   -9.7300
            39  C1a C    23.5873  -10.4300
            40  Z   Na   21.6201  -12.2052 #+
BOND        37
            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 2
            30   32  33 1
            31   33  34 2
            32   34  35 1
            33   35  36 2
            34   31  36 1
            35   34  37 1
            36   37  38 1
            37   38  39 1
BRACKET     1    20.6500  -13.0900   20.6500  -11.2000
            1    22.9600  -11.2000   22.9600  -13.0900
            1  2
 ORIGINAL  1    1
 REPEAT    1   40

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