Entry |
|
Name |
Sulphobromophthalein (BAN); Sulfobromophthalein |
Formula |
C20H10Br4O10S2
|
Exact mass |
789.6449
|
Mol weight |
794.04
|
Structure |

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Simcomp |
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Class |
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Remark |
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Efficacy |
Diagnostic (liver function) |
Metabolism |
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Interaction |
|
Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
V VARIOUS
V04 DIAGNOSTIC AGENTS
V04C OTHER DIAGNOSTIC AGENTS
V04CE Tests for liver functional capacity
V04CE02 Sulfobromophthalein
D08548 Sulphobromophthalein (BAN)
Drug groups [BR:br08330]
Transporter substrate
DG02857 SLCO1A2 substrate
DG01169 Sulfobromophthalein
D08548 Sulphobromophthalein
DG02856 SLCO1B1 substrate
DG01169 Sulfobromophthalein
D08548 Sulphobromophthalein
DG02932 SLCO1B3 substrate
DG01169 Sulfobromophthalein
D08548 Sulphobromophthalein
DG02933 SLCO2B1 substrate
DG01169 Sulfobromophthalein
D08548 Sulphobromophthalein
Drug metabolizing enzymes and transporters [br08309.html]
Drug transporters
D08548
Drug groups [BR:br08330]
Transporter substrate
DG02857 SLCO1A2 substrate
DG01169 Sulfobromophthalein
DG02856 SLCO1B1 substrate
DG01169 Sulfobromophthalein
DG02932 SLCO1B3 substrate
DG01169 Sulfobromophthalein
DG02933 SLCO2B1 substrate
DG01169 Sulfobromophthalein
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Other DBs |
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LinkDB |
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KCF data |
ATOM 36
1 C8y C 20.0900 -19.1800
2 C8y C 20.0900 -20.5800
3 C8y C 21.2800 -21.2800
4 C8y C 22.5400 -20.5800
5 C8y C 22.5400 -19.1800
6 C8y C 21.2800 -18.4800
7 C7x C 23.8700 -21.0000
8 O7x O 24.6400 -19.8800
9 C1z C 23.8700 -18.7600
10 X Br 21.2800 -17.0800
11 X Br 18.9000 -18.4800
12 X Br 18.9000 -21.2800
13 X Br 21.2800 -22.6800
14 C8y C 23.8700 -17.3600
15 C8y C 25.2700 -18.7600
16 O6a O 24.2900 -22.3300
17 C8x C 25.0600 -16.6600
18 C8y C 25.0600 -15.2600
19 C8y C 23.8700 -14.5600
20 C8x C 22.6100 -15.2600
21 C8x C 22.6100 -16.6600
22 C8x C 25.9700 -19.9500
23 C8y C 27.3700 -19.9500
24 C8y C 28.0700 -18.7600
25 C8x C 27.3700 -17.5000
26 C8x C 25.9700 -17.5000
27 O1a O 23.8700 -13.1600
28 S4a S 26.2500 -14.5600
29 O1d O 27.4400 -13.8600
30 O1d O 25.5500 -13.3000
31 O1d O 26.9500 -15.7500
32 O1a O 29.4700 -18.7600
33 S4a S 28.0700 -21.1400
34 O1d O 28.7700 -22.4000
35 O1d O 29.2600 -20.4400
36 O1d O 26.8100 -21.8400
BOND 39
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 4 7 1
8 7 8 1
9 8 9 1
10 5 9 1
11 6 10 1
12 1 11 1
13 2 12 1
14 3 13 1
15 9 14 1
16 9 15 1
17 7 16 2
18 14 17 2
19 17 18 1
20 18 19 2
21 19 20 1
22 20 21 2
23 14 21 1
24 15 22 2
25 22 23 1
26 23 24 2
27 24 25 1
28 25 26 2
29 15 26 1
30 19 27 1
31 18 28 1
32 28 29 1
33 28 30 2
34 28 31 2
35 24 32 1
36 23 33 1
37 33 34 1
38 33 35 2
39 33 36 2
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