Entry
Name
Gadodiamide hydrate;
Gadodiamide
Formula
C16H26N5O8. Gd. xH2O
Structure
Mol file KCF file DB search
Remark
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303 ]
V VARIOUS
V08 CONTRAST MEDIA
V08C MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
V08CA Paramagnetic contrast media
V08CA03 Gadodiamide
D01645 Gadodiamide hydrate (JAN) <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
D01645 Gadodiamide hydrate (JAN)
BRITE hierarchy
Other DBs
KCF data
Show ATOM 31
1 O6a O 13.4013 -17.0337 #-
2 C6a C 14.0905 -18.2436
3 C1b C 15.4839 -18.2481
4 N1c N 16.1878 -17.0426
5 C1b C 19.6709 -18.2647
6 C6a C 21.0705 -18.2647
7 O6a O 21.7740 -17.0514
8 N1c N 18.9746 -17.0514
9 C1a C 15.4846 -13.0300
10 O6a O 21.7939 -14.2503 #-
11 C6a C 21.0904 -13.0371
12 C1b C 19.6908 -13.0371
13 N1c N 18.9945 -14.2503
14 C1b C 20.1912 -16.3613
15 C1b C 20.1981 -14.9617
16 C1b C 16.8771 -18.2525
17 C1b C 18.2705 -18.2569
18 C5a C 14.9719 -14.9467
19 C1b C 14.9719 -16.3463
20 O6a O 21.7939 -11.8240
21 O6a O 21.7740 -19.4779 #-
22 O6a O 13.3903 -19.4546
23 C1b C 18.2840 -13.0297
24 C5a C 16.8842 -13.0320
25 O5a O 13.7590 -14.2428
26 N1b N 16.1899 -14.2465
27 N1b N 15.8924 -12.0379
28 O5a O 17.8760 -12.0379
29 C1a C 14.4928 -12.0379
30 Z Gd 25.1279 -15.8785 #3+
31 O0 O 29.6223 -15.8714
BOND 28
1 4 16 1
2 16 17 1
3 17 8 1
4 26 9 1
5 18 19 1
6 19 4 1
7 26 18 1
8 2 3 1
9 5 6 1
10 11 20 2
11 6 7 2
12 6 21 1
13 8 5 1
14 2 22 2
15 10 11 1
16 11 12 1
17 13 23 1
18 23 24 1
19 18 25 2
20 12 13 1
21 3 4 1
22 24 27 1
23 8 14 1
24 24 28 2
25 14 15 1
26 27 29 1
27 15 13 1
28 1 2 1
BRACKET 1 27.7900 -17.2200 27.7900 -14.8400
1 30.5200 -14.8400 30.5200 -17.2200
1 x
ORIGINAL 1 31
REPEAT 1