KEGG   COMPOUND: C00220Help
Entry
C00220                      Compound                               

Name
Methylene blue;
Methylthioninium chloride
Formula
C16H18N3S. Cl
Exact mass
319.091
Mol weight
319.8522
Structure
Mol fileKCF fileDB search
Remark
ATC code: V03AB17 V04CG05
Drug group: DG01156
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
      C00220  Methylene blue
  V04 DIAGNOSTIC AGENTS
   V04C OTHER DIAGNOSTIC AGENTS
    V04CG Tests for gastric secretion
     V04CG05 Methylthioninium chloride
      C00220  Methylene blue
Animal drugs in Japan [BR:br08331]
 95  Agents for external use
  951  Antimicrobials for dermatologic use
   9519  Other antimicrobials for dermatologic use
    C00220  Methylene blue
BRITE hierarchy
Other DBs
CAS: 61-73-4
PubChem: 3520
ChEBI: 6872
ChEMBL: CHEMBL405110
NIKKAJI: J237.220G
LinkDB All DBs
KCF data Show

ATOM        21
            1   C8y C    20.8893  -15.3533
            2   C8y C    20.8893  -13.9651
            3   S2x S    22.0967  -16.2165 #+
            4   C8x C    19.6878  -16.0533
            5   N5x N    22.0967  -13.2535
            6   C8x C    19.6878  -13.2769
            7   C8y C    23.3157  -15.3591
            8   C8y C    18.4978  -15.3533
            9   C8y C    23.3098  -13.9594
            10  C8x C    18.4978  -13.9651
            11  C8x C    24.5405  -16.0533
            12  N1c N    17.3021  -16.0357
            13  C8x C    24.5172  -13.2361
            14  C8y C    25.7655  -15.3474
            15  C1a C    16.1181  -15.3358
            16  C1a C    17.2964  -17.4122
            17  C8x C    25.7479  -13.9301
            18  N1c N    26.9612  -16.0299
            19  C1a C    26.9670  -17.4006
            20  C1a C    28.1452  -15.3242
            21  X   Cl   22.1900  -17.8263 #-
BOND        22
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 2
            8     5   9 1
            9     6  10 2
            10    7  11 1
            11    8  12 1
            12    9  13 1
            13   11  14 2
            14   12  15 1
            15   12  16 1
            16   13  17 2
            17   14  18 1
            18   18  19 1
            19   18  20 1
            20    7   9 2
            21    8  10 1
            22   14  17 1

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