KEGG   DRUG: Methylene blueHelp
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 search
Simcomp SIMCOMP
Remark
ATC code: V03AB17 V04CG05
Chemical structure group: DG01156
Product (DG01156): D02312<US> D10537<JP>
Efficacy
Antimethemoglobinemic, Antidote (to cyanide poisoning)
  Disease
Methemoglobinemia [DS:H00235]
Structure map
map07029  Antipsychotics - 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) <US>
  V04 DIAGNOSTIC AGENTS
   V04C OTHER DIAGNOSTIC AGENTS
    V04CG Tests for gastric secretion
     V04CG05 Methylthioninium chloride
      D02312  Methylene blue (USP) <US>
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Methylene blue
    D02312  Methylene blue (USP)
Pharmaceutical additives in Japan [BR:br08316]
 Coloring agent
  D02312  [001633] Methylene blue
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D02312
Pharmacogenomic biomarkers in FDA drug labels [br08341.html]
 Polymorphisms and germline mutations
  D02312
BRITE hierarchy
Other DBs
CAS: 7220-79-3
PubChem: 7849371
ChEMBL: CHEMBL550495
LigandBox: D02312
NIKKAJI: J244.741J
LinkDB All DBs
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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