KEGG   DRUG: Gadoteric acid
Entry
D08007                      Drug                                   
Name
Gadoteric acid (INN);
Artirem (TN)
Formula
C16H25N4O8. Gd
Exact mass
559.0913
Mol weight
558.6417
Structure
Simcomp
Remark
ATC code: V08CA02
Chemical structure group: DG01183
Product (DG01183): D03355<JP/US>
Efficacy
Diagnostic aid (contrast medium, NMR-tonography)
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 V VARIOUS
  V08 CONTRAST MEDIA
   V08C MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
    V08CA Paramagnetic contrast media
     V08CA02 Gadoteric acid
      D08007  Gadoteric acid (INN)
Other DBs
CAS: 72573-82-1
PubChem: 96024700
ChEBI: 73732
LigandBox: D08007
KCF data

ATOM        29
            1   O6a O    18.2700  -19.3200 #-
            2   C6a C    18.9700  -20.5800
            3   C1b C    20.3700  -20.5800
            4   N1y N    21.0700  -19.3200
            5   C1b C    24.5700  -20.5800
            6   C6a C    25.9700  -20.5800
            7   O6a O    26.6700  -19.3900
            8   N1y N    23.8700  -19.3900
            9   N1y N    21.0700  -16.5200
            10  C1b C    20.3700  -15.3300
            11  C6a C    18.9700  -15.3300
            12  O6a O    18.2700  -16.5200 #-
            13  O6a O    26.6700  -16.5200 #-
            14  C6a C    25.9700  -15.3300
            15  C1b C    24.5700  -15.3300
            16  N1y N    23.8700  -16.5200
            17  C1x C    25.0600  -18.6900
            18  C1x C    25.0600  -17.2900
            19  C1x C    21.7700  -20.5800
            20  C1x C    23.1700  -20.5800
            21  C1x C    19.8100  -17.2200
            22  C1x C    19.8100  -18.6200
            23  C1x C    23.1700  -15.3300
            24  C1x C    21.7700  -15.3300
            25  O6a O    26.6700  -14.1400
            26  O6a O    26.6700  -21.7700
            27  O6a O    18.2700  -21.7700
            28  O6a O    18.2700  -14.1400
            29  Z   Gd   22.1900  -18.2000 #3+
BOND        28
            1    15  16 1
            2     3   4 1
            3     8  17 1
            4    17  18 1
            5    18  16 1
            6     1   2 1
            7     4  19 1
            8    19  20 1
            9    20   8 1
            10    9  10 1
            11   10  11 1
            12   21  22 1
            13   22   4 1
            14    9  21 1
            15   11  12 1
            16    2   3 1
            17   16  23 1
            18   23  24 1
            19   24   9 1
            20    5   6 1
            21   14  25 2
            22    6   7 1
            23    6  26 2
            24    8   5 1
            25    2  27 2
            26   13  14 1
            27   11  28 2
            28   14  15 1

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Ontology (1)   
   KEGG BRITE (1)   
Drug (2)   
   KEGG DGROUP (1)   
   LigandBox (1)   
Chemical substance (2)   
   PubChem (1)   
   ChEBI (1)   
All databases (5)   

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