Entry
Name
Gadoxetic acid (INN)
Formula
C23H28N3O11. 2H. Gd
Exact mass
682.1121
Mol weight
681.75
Structure
Mol file KCF file DB search
Simcomp
Neighbor
Remark
Product (DG01187): D04288<JP /US >
Efficacy
Diagnostic aid (contrast medium)
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303 ]
V VARIOUS
V08 CONTRAST MEDIA
V08C MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
V08CA Paramagnetic contrast media
V08CA10 Gadoxetic acid
D08008 Gadoxetic acid (INN)
BRITE hierarchy
Other DBs
LinkDB
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KCF data
Show ATOM 38
1 Z Gd 20.5100 -18.2000 #3+
2 C6a C 19.3900 -14.8400
3 O6a O 18.1300 -15.5400 #-
4 O6a O 19.3900 -13.4400
5 C1b C 20.7900 -14.8400
6 O6a O 16.9400 -17.6400 #-
7 C6a C 16.9400 -19.0400
8 C1b C 17.6400 -20.2300
9 C1b C 19.3900 -21.8400
10 N1c N 20.5800 -21.1400
11 O6a O 18.2000 -19.7400 #-
12 C6a C 18.2000 -21.1400
13 C1b C 21.8400 -21.8400
14 C1b C 23.0300 -21.1400
15 N1c N 23.0300 -19.7400
16 C1b C 24.2200 -19.0400
17 C1c C 24.2200 -17.6400
18 N1c N 23.0300 -16.9400
19 C1b C 23.0300 -15.5400
20 C6a C 21.8400 -14.8400
21 O6a O 20.5800 -15.5400 #-
22 O6a O 15.6100 -19.3900
23 O6a O 16.9400 -21.8400
24 C1b C 24.2200 -20.4400
25 C6a C 25.4100 -19.7400
26 O6a O 26.6000 -20.4400
27 O6a O 25.4100 -18.3400 #-
28 O6a O 21.8400 -13.4400
29 C1b C 25.4100 -16.9400
30 C8y C 26.6700 -17.6400
31 C8x C 26.6700 -19.0400
32 C8x C 27.8600 -19.7400
33 C8y C 29.0500 -19.0400
34 C8x C 29.0500 -17.6400
35 C8x C 27.8600 -16.9400
36 O2a O 30.2400 -19.7400
37 C1b C 31.5000 -19.0400
38 C1a C 32.6900 -19.7400
BOND 37
1 2 3 1
2 2 4 2
3 2 5 1
4 6 7 1
5 7 8 1
6 9 10 1
7 11 12 1
8 9 12 1
9 10 13 1
10 13 14 1
11 14 15 1
12 15 16 1
13 16 17 1
14 17 18 1
15 18 19 1
16 19 20 1
17 20 21 1
18 8 10 1
19 7 22 2
20 12 23 2
21 15 24 1
22 24 25 1
23 25 26 2
24 25 27 1
25 5 18 1
26 20 28 2
27 17 29 1
28 29 30 1
29 30 31 2
30 31 32 1
31 32 33 2
32 33 34 1
33 34 35 2
34 30 35 1
35 33 36 1
36 36 37 1
37 37 38 1
BRACKET 1 25.2700 -23.8700 25.2700 -22.1200
1 27.0900 -22.1200 27.0900 -23.8700
1 2
ORIGINAL 1 39
REPEAT 1 40