KEGG   DRUG: Indigotindisulfonate sodiumHelp
Entry
D01563                      Drug                                   

Name
Indigotindisulfonate sodium (USP);
Indigocarmine (JP17);
Indigo carmine (TN)
Formula
C16H8N2O8S2. 2Na
Exact mass
465.9517
Mol weight
466.3529
Structure
Mol fileKCF fileDB search
Remark
Therapeutic category: 7225 7290
ATC code: V04CH02
Product: D01563<JP>
Efficacy
Diagnostic aid (cystoscopy)
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 V VARIOUS
  V04 DIAGNOSTIC AGENTS
   V04C OTHER DIAGNOSTIC AGENTS
    V04CH Tests for renal function
     V04CH02 Indigo carmine
      D01563  Indigotindisulfonate sodium (USP) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 7  Agents not mainly for therapeutic purpose
  72  Intracorporeal diagnostic agents
   722  Various function testing reagents
    7225  Diagnostic reagents for renal function
     D01563  Indigotindisulfonate sodium (USP); Indigocarmine (JP17)
   729  Miscellaneous
    7290  Miscellaneous
     D01563  Indigotindisulfonate sodium (USP); Indigocarmine (JP17)
Pharmaceutical additives in Japan [BR:br08316]
 Coloring agent
  D01563  [102385] Indigocarmine
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01563  Indigocarmine
  D01563  Indigocarmine injection
BRITE hierarchy
Other DBs
CAS: 860-22-0
PubChem: 7848626
ChEBI: 31695
ChEMBL: CHEMBL2105023
LigandBox: D01563
NIKKAJI: J3.340E
LinkDB All DBs
KCF data Show

ATOM        30
            1   C8y C    18.9424  -16.5789
            2   C8x C    18.9424  -17.9772
            3   C8x C    20.1563  -18.6763
            4   C8x C    20.1563  -15.8798
            5   C8y C    21.3630  -16.5789
            6   C8y C    21.3571  -17.9806
            7   N1x N    22.6884  -18.4194
            8   C2y C    23.5168  -17.2887
            9   C5x C    22.6977  -16.1513
            10  O5x O    23.1355  -14.8234
            11  S4a S    17.7320  -15.8793
            12  O1d O    16.5132  -15.1736 #-
            13  O1d O    18.4199  -14.6582
            14  O1d O    17.0217  -17.0803
            15  C2y C    24.9325  -17.2815
            16  C8y C    29.5069  -17.9913
            17  C8x C    29.5069  -16.5930
            18  C8x C    28.2931  -15.8939
            19  C8x C    28.2931  -18.6904
            20  C8y C    27.0863  -17.9913
            21  C8y C    27.0923  -16.5896
            22  N1x N    25.7610  -16.1508
            23  C5x C    25.7516  -18.4189
            24  O5x O    25.3139  -19.7468
            25  S4a S    30.7175  -18.6911
            26  O1d O    31.9363  -19.3966 #-
            27  O1d O    30.0296  -19.9122
            28  O1d O    31.4278  -17.4899
            29  Z   Na   33.5181  -19.4814 #+
            30  Z   Na   13.5353  -15.1031 #+
BOND        31
            1     1   2 1
            2    11  14 2
            3     2   3 2
            4     8  15 2
            5     3   6 1
            6     5   4 1
            7     5   6 2
            8     6   7 1
            9     7   8 1
            10    8   9 1
            11    9   5 1
            12    4   1 2
            13    9  10 2
            14   16  17 1
            15   17  18 2
            16   18  21 1
            17   20  19 1
            18   20  21 2
            19   21  22 1
            20   22  15 1
            21   15  23 1
            22   23  20 1
            23   19  16 2
            24   23  24 2
            25   16  25 1
            26    1  11 1
            27   25  26 1
            28   25  27 2
            29   11  12 1
            30   25  28 2
            31   11  13 2

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