KEGG   DRUG: Gadoteridol
Entry
D01137                      Drug                                   
Name
Gadoteridol (JAN/USP/INN);
ProHance (TN)
Product
PROHANCE (BRACCO DIAGNOSTICS), PROHANCE (Bracco Diagnostics)
Formula
C17H29N4O7. Gd
Exact mass
559.1277
Mol weight
558.6848
Structure
Simcomp
Remark
Therapeutic category: 7290
ATC code: V08CA04
Product: D01137<JP/US>
Efficacy
Diagnostic aid (paramagnetic)
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 V VARIOUS
  V08 CONTRAST MEDIA
   V08C MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
    V08CA Paramagnetic contrast media
     V08CA04 Gadoteridol
      D01137  Gadoteridol (JAN/USP/INN) <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
     D01137  Gadoteridol (JAN/USP/INN)
Other DBs
CAS: 120066-54-8
PubChem: 7848200
ChEBI: 31643
LigandBox: D01137
KCF data

ATOM        29
            1   O6a O    18.9655  -17.3101 #-
            2   C6a C    19.6588  -18.5201
            3   C1b C    21.0534  -18.5247
            4   N1y N    21.7545  -17.3191
            5   C1b C    25.2441  -18.5413
            6   C1c C    26.6450  -18.5413
            7   O1a O    27.3455  -17.3280
            8   N1y N    24.5436  -17.3280
            9   N1y N    21.7545  -14.5172
            10  C1b C    21.0540  -13.3038
            11  C6a C    19.6531  -13.3038
            12  O6a O    18.9526  -14.5172 #-
            13  O6a O    27.3656  -14.5243 #-
            14  C6a C    26.6651  -13.3110
            15  C1b C    25.2641  -13.3110
            16  N1y N    24.5636  -14.5243
            17  C1x C    25.7605  -16.6338
            18  C1x C    25.7674  -15.2328
            19  C1x C    22.4479  -18.5291
            20  C1x C    23.8424  -18.5335
            21  C1x C    20.5383  -15.2177
            22  C1x C    20.5383  -16.6186
            23  C1x C    23.8560  -13.3038
            24  C1x C    22.4550  -13.3038
            25  O6a O    27.3656  -12.0976
            26  C1a C    27.3455  -19.7546
            27  O6a O    18.9544  -19.7312
            28  O6a O    18.9526  -12.0907
            29  Z   Gd   30.7407  -16.1550 #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 1
            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 (2)   
   KEGG BRITE (2)   
Drug (2)   
   LigandBox (1)   
   SIDER (1)   
Chemical substance (4)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   HSDB (1)   
All databases (8)   

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