KEGG   DRUG: D02312Help
Entry
D02312                      Drug                                   

Name
Methylene blue (USP);
Methylthioninium chloride;
Methylthioninium chloride proveblue (TN)
Product
  Other
Formula
C16H18N3S. 3H2O. Cl
Exact mass
373.1227
Mol weight
373.8981
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antimethemoglobinemic;
Antidote [to cyanide poisoning]
Remark
ATC code: 
Drug group: 
Interaction
Genomic biomarker: G6PD [HSA:2539]
Drug interaction
Structure map
Phenothiazines
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
      D02312  Methylene blue (USP)
  V04 DIAGNOSTIC AGENTS
   V04C OTHER DIAGNOSTIC AGENTS
    V04CG Tests for gastric secretion
     V04CG05 Methylthioninium chloride
      D02312  Methylene blue (USP)
Risk category of Japanese OTC drugs [BR:br08312]
 Category 3
  Inorganic and organic chemicals
   Methylene blue
    D02312  Methylene blue (USP)
Pharmaceutical additives [BR:br08316]
 Coloring agent
  D02312  [001633] Methylene blue
BRITE hierarchy
Other DBs
CAS: 
7220-79-3
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        24
            1   C8y C    21.0700  -14.3500
            2   C8y C    21.0700  -15.7500
            3   S2x S    22.2824  -16.4500 #+
            4   C8y C    23.4949  -15.7500
            5   C8y C    23.4949  -14.3500
            6   N5x N    22.2824  -13.6500
            7   C8x C    24.7073  -16.4500
            8   C8y C    25.9197  -15.7500
            9   C8x C    25.9197  -14.3500
            10  C8x C    24.7073  -13.6500
            11  C8x C    19.8576  -13.6500
            12  C8x C    18.6451  -14.3500
            13  C8y C    18.6451  -15.7500
            14  C8x C    19.8576  -16.4500
            15  N1c N    27.1173  -16.4415
            16  C1a C    28.3056  -15.7555
            17  C1a C    27.1174  -17.8497
            18  N1c N    17.4140  -16.4610
            19  C1a C    16.2088  -15.7653
            20  C1a C    17.4143  -17.8499
            21  X   Cl   22.3300  -18.0600 #-
            22  O0  O    33.7400  -16.1700
            23  O0  O    33.7400  -16.1700
            24  O0  O    33.7400  -16.1700
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  -16.8700   31.7800  -15.1900
            1    34.3700  -15.1900   34.3700  -16.8700
            1  3
 ORIGINAL  1   22
 REPEAT    1   23  24

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