KEGG   COMPOUND: C08029
Entry
C08029                      Compound                               
Name
Methacycline hydrochloride
Formula
C22H22N2O8. HCl
Exact mass
478.1143
Mol weight
478.8796
Structure
Remark
Same as: D00849
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01A TETRACYCLINES
    J01AA Tetracyclines
     J01AA05 Metacycline
      D00849  Methacycline hydrochloride (JAN/USP)
Drug groups [BR:br08330]
 Antibacterial
  DG01197  Tetracycline antibiotic
   DG00514  Metacycline
    D00849  Methacycline hydrochloride
Antimicrobials [BR:br08307]
 Antibacterials
  Protein biosynthesis inhibitor
   Tetracycline
    D00849  Methacycline hydrochloride (JAN/USP)
Other DBs
CAS: 3963-95-9
PubChem: 10229
ChEBI: 6806
NIKKAJI: J219.963G
KCF data

ATOM        33
            1   X   Cl   39.4192  -17.3941
            2   C8x C    24.7508  -17.1951
            3   C8x C    24.7508  -18.5702
            4   C8y C    25.9196  -19.2578
            5   C8y C    27.1572  -18.5702
            6   C8y C    27.1572  -17.1951
            7   C8x C    25.9196  -16.5076
            8   C5x C    28.3260  -19.2578
            9   C2y C    29.4949  -18.5702
            10  C1y C    29.4949  -17.1951
            11  C2y C    28.3260  -16.5076
            12  C2y C    30.7325  -19.2578
            13  C1z C    31.9013  -18.5702
            14  C1y C    31.9013  -17.1951
            15  C1y C    30.7325  -16.5076
            16  C5x C    33.0702  -19.2578
            17  C2y C    34.3078  -18.5702
            18  C2y C    34.3078  -17.1951
            19  C1y C    33.0702  -16.5076
            20  C2a C    28.3260  -15.1324
            21  O5x O    28.3260  -20.6329
            22  O5x O    33.0702  -20.6329
            23  O1a O    25.9196  -20.6329
            24  O1a O    30.7325  -20.6329
            25  C5a C    35.4766  -19.2578
            26  N1a N    36.6455  -18.5702
            27  O5a O    35.4766  -20.6329
            28  O1a O    35.4766  -16.5076
            29  O1a O    30.7325  -14.9262
            30  N1c N    33.0702  -14.3761
            31  O1a O    31.9013  -19.9453
            32  C1a C    34.2390  -13.6886
            33  C1a C    31.9013  -13.6886
BOND        35
            1     2   3 2
            2     3   4 1
            3     4   5 2
            4     5   6 1
            5     6   7 2
            6     2   7 1
            7     5   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11    6  11 1
            12    9  12 2
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   10  15 1
            17   13  16 1
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   14  19 1
            22   11  20 2
            23    8  21 2
            24   16  22 2
            25    4  23 1
            26   12  24 1
            27   17  25 1
            28   25  26 1
            29   25  27 2
            30   18  28 1
            31   15  29 1 #Down
            32   19  30 1 #Down
            33   13  31 1 #Down
            34   30  32 1
            35   30  33 1

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