KEGG   DRUG: Gadobutrol
Entry
D07420                      Drug                                   
Name
Gadobutrol (JAN/USAN/INN);
Gadavist (TN)
Product
GADAVIST (Bayer HealthCare Pharmaceuticals), GADAVIST (Bayer HealthCare Pharmaceuticals), GADAVIST (Bayer HealthCare Pharmaceuticals)
  Generic
GADOBUTROL (Fresenius Kabi USA), GADOBUTROL (Fresenius Kabi USA), GADOBUTROL (Slate Run Pharmaceuticals)
Formula
C18H31N4O9. Gd
Exact mass
605.1332
Mol weight
604.7101
Structure
Simcomp
Remark
Therapeutic category: 7290
ATC code: V08CA09
Product: D07420<JP/US>
Efficacy
Diagnostic aid (contrast medium)
Comment
Imaging agent, Contrast medium, NMR-tomography
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 V VARIOUS
  V08 CONTRAST MEDIA
   V08C MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
    V08CA Paramagnetic contrast media
     V08CA09 Gadobutrol
      D07420  Gadobutrol (JAN/USAN/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
     D07420  Gadobutrol (JAN/USAN/INN)
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D07420
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D07420
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D07420
Other DBs
CAS: 138071-82-6
PubChem: 96024427
ChEBI: 68841
LigandBox: D07420
KCF data

ATOM        32
            1   O6a O    18.2965  -19.2780 #-
            2   C6a C    18.9975  -20.5398
            3   C1b C    20.3996  -20.5398
            4   N1y N    21.1006  -19.2780
            5   C1c C    24.6057  -20.5398
            6   C1c C    26.0077  -20.5398
            7   O1a O    26.7087  -19.3481
            8   N1y N    23.9047  -19.3481
            9   N1y N    21.1006  -16.4739
            10  C1b C    20.3996  -15.2822
            11  C6a C    18.9975  -15.2822
            12  O6a O    18.2965  -16.4739 #-
            13  O6a O    26.7087  -16.4739 #-
            14  C6a C    26.0077  -15.2822
            15  C1b C    24.6057  -15.2822
            16  N1y N    23.9047  -16.4739
            17  C1x C    25.0964  -18.6470
            18  C1x C    25.0964  -17.2450
            19  C1x C    21.8016  -20.5398
            20  C1x C    23.2036  -20.5398
            21  C1x C    19.8388  -17.1749
            22  C1x C    19.8388  -18.5769
            23  C1x C    23.2036  -15.2822
            24  C1x C    21.8016  -15.2822
            25  O6a O    26.7087  -14.0904
            26  O6a O    18.2965  -21.7315
            27  O6a O    18.2965  -14.0904
            28  C1b C    23.9047  -21.7315
            29  O1a O    22.5026  -21.8016
            30  C1b C    26.7087  -21.7315
            31  O1a O    28.1108  -21.8016
            32  Z   Gd   30.0736  -18.1563 #3+
BOND        31
            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    8   5 1
            24    2  26 2
            25   13  14 1
            26   11  27 2
            27   14  15 1
            28    5  28 1
            29   28  29 1
            30    6  30 1
            31   30  31 1

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Ontology (5)   
   KEGG BRITE (5)   
Drug (2)   
   LigandBox (1)   
   SIDER (1)   
Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
All databases (10)   

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