Entry |
|
Name |
Mebrofenin (USP/INN) |
Product |
|
Formula |
C15H19BrN2O5
|
Exact mass |
386.0477
|
Mol weight |
387.2258
|
Structure |
|
Simcomp |
|
Remark |
|
Efficacy |
Diagnostic aid (hepatobiliary function determination) |
Comment |
Component of Choletec (TN)
Methyliminodiacetic acid derivative
|
Other DBs |
|
KCF data |
ATOM 23
1 C8y C 20.8600 -16.2400
2 C8y C 20.8600 -17.6400
3 C8x C 22.0500 -18.3400
4 C8y C 23.3100 -17.6400
5 C8y C 23.3100 -16.2400
6 C8y C 22.0500 -15.5400
7 C1a C 22.0500 -14.1400
8 C1a C 19.6700 -18.3400
9 N1b N 24.5000 -15.5400
10 X Br 19.6700 -15.5400
11 C5a C 25.6900 -16.2400
12 C1a C 24.5000 -18.3400
13 C1b C 26.8800 -15.5400
14 O5a O 25.6900 -17.6400
15 N1c N 28.0700 -16.2400
16 C1b C 29.2600 -15.5400
17 C1b C 28.0700 -17.6400
18 C6a C 29.2486 -14.1400
19 C6a C 29.2824 -18.3400
20 O6a O 28.0392 -13.4548
21 O6a O 30.4638 -13.4252
22 O6a O 30.4779 -17.6496
23 O6a O 29.2825 -19.7398
BOND 23
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 6 7 1
8 2 8 1
9 5 9 1
10 1 10 1
11 9 11 1
12 4 12 1
13 11 13 1
14 11 14 2
15 13 15 1
16 15 16 1
17 15 17 1
18 16 18 1
19 17 19 1
20 18 20 2
21 18 21 1
22 19 22 1
23 19 23 2
|