KEGG   DRUG: Methylthioninium chloride hydrateHelp
Entry
D10537                      Drug                                   

Name
Methylthioninium chloride hydrate (JAN);
Methylene blue (TN)
Formula
C16H18N3S. Cl. xH2O
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Therapeutic category: 3929
ATC code: V03AB17 V04CG05
Chemical structure group: DG01156
Product (DG01156): D10537<JP>
Efficacy
Antimethemoglobinemic
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 V VARIOUS
  V03 ALL OTHER THERAPEUTIC PRODUCTS
   V03A ALL OTHER THERAPEUTIC PRODUCTS
    V03AB Antidotes
     V03AB17 Methylthioninium chloride
      D10537  Methylthioninium chloride hydrate (JAN) <JP>
  V04 DIAGNOSTIC AGENTS
   V04C OTHER DIAGNOSTIC AGENTS
    V04CG Tests for gastric secretion
     V04CG05 Methylthioninium chloride
      D10537  Methylthioninium chloride hydrate (JAN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  39  Other agents affecting metabolism
   392  Antidotes
    3929  Others
     D10537  Methylthioninium chloride hydrate (JAN)
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D10537
BRITE hierarchy
Other DBs
PubChem: 254741499
LinkDB All DBs
KCF data Show

ATOM        22
            1   C8y C    19.8100  -15.2600
            2   C8y C    19.8100  -16.6600
            3   S2x S    21.0000  -17.3600 #+
            4   C8y C    22.2600  -16.6600
            5   C8y C    22.2600  -15.2600
            6   N5x N    21.0000  -14.5600
            7   C8x C    23.4500  -17.3600
            8   C8y C    24.6400  -16.6600
            9   C8x C    24.6400  -15.2600
            10  C8x C    23.4500  -14.5600
            11  C8x C    18.6200  -14.5600
            12  C8x C    17.3600  -15.2600
            13  C8y C    17.3600  -16.6600
            14  C8x C    18.6200  -17.3600
            15  N1c N    25.8300  -17.3600
            16  C1a C    27.0200  -16.6600
            17  C1a C    25.8300  -18.7600
            18  N1c N    16.1700  -17.3600
            19  C1a C    14.9800  -16.6600
            20  C1a C    16.1700  -18.7600
            21  X   Cl   21.0700  -18.9700 #-
            22  O0  O    33.8800  -18.0600
BOND        22
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    1  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16    2  14 1
            17    8  15 1
            18   15  16 1
            19   15  17 1
            20   13  18 1
            21   18  19 1
            22   18  20 1
BRACKET     1    31.7800  -18.8300   31.7800  -16.9400
            1    34.5100  -16.9400   34.5100  -18.8300
            1  x
 ORIGINAL  1   22
 REPEAT    1

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