KEGG   DRUG: D01046Help
Entry
D01046                      Drug                                   

Name
Methylrosanilinium chloride (JP16/INN);
Gentian violet (USP);
Methylrosaniline chloride;
Crystal violet;
Genapax (TN)
Formula
C25H30N3. Cl
Exact mass
407.2128
Mol weight
407.9788
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Anti-infective, topical
Remark
ATC code: 
Comment
Methylrosaniline chloride (previously used name)
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D01 ANTIFUNGALS FOR DERMATOLOGICAL USE
   D01A ANTIFUNGALS FOR TOPICAL USE
    D01AE Other antifungals for topical use
     D01AE02 Methylrosaniline
      D01046  Methylrosanilinium chloride (JP16/INN); Gentian violet (USP)
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G01 GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
   G01A ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
    G01AX Other antiinfectives and antiseptics
     G01AX09 Methylrosaniline
      D01046  Methylrosanilinium chloride (JP16/INN); Gentian violet (USP)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for integumentary system
  56 Purulent skin remedies
   D01046  Methylrosanilinium chloride (JP16/INN); Gentian violet (USP)
 Agents for dental and stomatological use
  73 Stomatologic and laryngologic remedies (incl. toche without claims for cough and phlegm)
   D01046  Methylrosanilinium chloride (JP16/INN); Gentian violet (USP)
Risk category of Japanese OTC drugs [BR:br08312]
 Category 3
  Inorganic and organic chemicals
   Methylrosanilinium chloride
    D01046  Methylrosanilinium chloride (JP16/INN); Gentian violet (USP)
Pharmaceutical additives [BR:br08316]
 Coloring agent
  D01046  [001112] Methylrosanilinium chloride
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01046  Methylrosanilinium chloride
BRITE hierarchy
Other DBs
CAS: 
548-62-9
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        29
            1   C8x C    23.8057  -21.6412
            2   C8y C    23.8057  -23.0422
            3   C8x C    25.0190  -23.7427
            4   C8x C    26.2324  -23.0422
            5   C8y C    26.2324  -21.6412
            6   C8x C    25.0190  -20.9406
            7   C8x C    28.6590  -23.0422
            8   C8y C    28.6590  -21.6412
            9   C2c C    27.4457  -20.9406
            10  C8x C    29.8724  -23.7427
            11  C8y C    31.0857  -23.0422
            12  C8x C    31.0857  -21.6412
            13  C8x C    29.8724  -20.9406
            14  C2y C    27.4457  -19.5396
            15  C2x C    28.6611  -18.8379
            16  C2x C    28.6611  -17.4368
            17  C2y C    27.4477  -16.7363
            18  C2x C    26.2324  -17.4380
            19  C2x C    26.2324  -18.8391
            20  N1c N    22.5924  -23.7427
            21  C1a C    21.3960  -23.0518
            22  C1a C    22.5923  -25.1436
            23  N1c N    32.3031  -23.7450
            24  C1a C    33.5015  -23.0530
            25  C1a C    32.3031  -25.1436
            26  N2b N    27.4477  -15.3365 #+
            27  C1a C    26.2349  -14.6363
            28  C1a C    28.6616  -14.6357
            29  X   Cl   30.7409  -16.2472 #-
BOND        30
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     7   8 1
            8     8   9 1
            9     5   9 1
            10    7  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14    8  13 2
            15    9  14 2
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 1
            20   18  19 2
            21   14  19 1
            22    2  20 1
            23   20  21 1
            24   20  22 1
            25   11  23 1
            26   23  24 1
            27   23  25 1
            28   17  26 2
            29   26  27 1
            30   26  28 1

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