KEGG   DRUG: GadobutrolHelp
Entry
D07420                      Drug                                   

Name
Gadobutrol (JAN/USAN/INN);
Gadavist (TN)
Product
Formula
C18H31N4O9. Gd
Exact mass
605.1332
Mol weight
604.7101
Structure
Mol fileKCF fileDB search
Simcomp 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 Entity and New Therapeutic Biological Product Approvals
  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
BRITE hierarchy
Other DBs
CAS: 138071-82-6
PubChem: 96024427
ChEBI: 68841
LigandBox: D07420
LinkDB All DBs
KCF data Show

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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