KEGG   DRUG: Sulfobromophthalein sodium
Entry
D02210                      Drug                                   
Name
Sulfobromophthalein sodium (JP18)
Formula
C20H8Br4O10S2. 2Na
Exact mass
833.6088
Mol weight
837.9971
Structure
Simcomp
Class
Transporter substrate
 DG02857  SLCO1A2 substrate
 DG02856  SLCO1B1 substrate
 DG02932  SLCO1B3 substrate
 DG02933  SLCO2B1 substrate
Remark
ATC code: V04CE02
Chemical structure group: DG01169
Efficacy
Diagnostic (liver function)
Metabolism
Transporter: SLCO1B1 [HSA:10599], SLCO1B3 [HSA:28234], SLCO1A2 [HSA:6579], SLCO2B1 [HSA:11309]
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
      D02210  Sulfobromophthalein sodium (JP18)
Drug groups [BR:br08330]
 Transporter substrate
  DG02857  SLCO1A2 substrate
   DG01169  Sulfobromophthalein
    D02210  Sulfobromophthalein sodium
  DG02856  SLCO1B1 substrate
   DG01169  Sulfobromophthalein
    D02210  Sulfobromophthalein sodium
  DG02932  SLCO1B3 substrate
   DG01169  Sulfobromophthalein
    D02210  Sulfobromophthalein sodium
  DG02933  SLCO2B1 substrate
   DG01169  Sulfobromophthalein
    D02210  Sulfobromophthalein sodium
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D02210  Sulfobromophthalein sodium
  D02210  Sulfobromophthalein sodium injection
Drug metabolizing enzymes and transporters [br08309.html]
 Drug transporters
  D02210
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
Other DBs
CAS: 71-67-0
PubChem: 7849270
LigandBox: D02210
NIKKAJI: J1.424I
LinkDB
KCF data

ATOM        38
            1   Z   Na   37.7677  -21.7324 #+
            2   Z   Na   36.7187  -13.0092 #+
            3   C8y C    27.5100  -18.4100
            4   C8y C    27.5100  -19.8100
            5   C8y C    28.7000  -20.5100
            6   C8y C    29.9600  -19.8100
            7   C8y C    29.9600  -18.4100
            8   C8y C    28.7000  -17.7100
            9   C7x C    31.2900  -20.2300
            10  O7x O    32.0600  -19.1100
            11  C1z C    31.2900  -17.9900
            12  X   Br   28.7000  -16.3100
            13  X   Br   26.3200  -17.7100
            14  X   Br   26.3200  -20.5100
            15  X   Br   28.7000  -21.9100
            16  C8y C    31.2900  -16.5900
            17  C8y C    32.6900  -17.9900
            18  O6a O    31.7100  -21.5600
            19  C8x C    32.4800  -15.8900
            20  C8y C    32.4800  -14.4900
            21  C8y C    31.2900  -13.7900
            22  C8x C    30.0300  -14.4900
            23  C8x C    30.0300  -15.8900
            24  C8x C    33.3900  -19.1800
            25  C8y C    34.7900  -19.1800
            26  C8y C    35.4900  -17.9900
            27  C8x C    34.7900  -16.8000
            28  C8x C    33.3900  -16.8000
            29  O1a O    31.2900  -12.3900
            30  S4a S    33.6700  -13.7900
            31  O1d O    34.9300  -13.0900 #-
            32  O1d O    32.9700  -12.6000
            33  O1d O    34.3700  -14.9800
            34  O1a O    36.8900  -17.9900
            35  S4a S    35.4900  -20.4400
            36  O1d O    36.1900  -21.6300 #-
            37  O1d O    36.6800  -19.6700
            38  O1d O    34.2300  -21.0700
BOND        39
            1     3   4 2
            2     4   5 1
            3     5   6 2
            4     6   7 1
            5     7   8 2
            6     3   8 1
            7     6   9 1
            8     9  10 1
            9    10  11 1
            10    7  11 1
            11    8  12 1
            12    3  13 1
            13    4  14 1
            14    5  15 1
            15   11  16 1
            16   11  17 1
            17    9  18 2
            18   16  19 2
            19   19  20 1
            20   20  21 2
            21   21  22 1
            22   22  23 2
            23   16  23 1
            24   17  24 2
            25   24  25 1
            26   25  26 2
            27   26  27 1
            28   27  28 2
            29   17  28 1
            30   21  29 1
            31   20  30 1
            32   30  31 1
            33   30  32 2
            34   30  33 2
            35   26  34 1
            36   25  35 1
            37   35  36 1
            38   35  37 2
            39   35  38 2

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