KEGG   DRUG: Doxycycline calciumHelp
Entry
D03903                      Drug                                   

Name
Doxycycline calcium (USP)
Product
Formula
C22H20N2O8. 2Ca
Exact mass
520.0471
Mol weight
520.5588
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Antibacterial
 DG01197  Tetracycline antibiotic
Remark
ATC code: 
Chemical group: 
Activity
Antibacterial, Antiprotozoal, Protein biosynthesis inhibitor
Comment
Component of Vibramycin (TN)
Semisynthetic tetracycline
Target
30S ribosomal subunit
  Pathway
Ribosome
Interaction
Drug interaction
Structure map
Tetracyclines
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A01 STOMATOLOGICAL PREPARATIONS
   A01A STOMATOLOGICAL PREPARATIONS
    A01AB Antiinfectives and antiseptics for local oral treatment
     A01AB22 Doxycycline
      D03903  Doxycycline calcium (USP)
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01A TETRACYCLINES
    J01AA Tetracyclines
     J01AA02 Doxycycline
      D03903  Doxycycline calcium (USP)
USP drug classification [BR:br08302]
 Antibacterials
  Tetracyclines
   Doxycycline
    D03903  Doxycycline calcium (USP)
 Dental and Oral Agents
  Doxycycline
   D03903  Doxycycline calcium (USP)
 Dermatological Agents
  Doxycycline
   D03903  Doxycycline calcium (USP)
Antiinfectives [BR:br08307]
 Antibacterials
  Protein biosynthesis inhibitor
   30S subunit inhibitor
    Tetracyclines
     Doxycycline
      D03903  Doxycycline calcium (USP)
BRITE hierarchy
Other DBs
CAS: 
94088-85-4
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        34
            1   Z   Ca   29.8200  -20.5939 #2+
            2   C8x C    12.1800  -20.0200
            3   C8x C    12.1800  -21.4200
            4   C8y C    13.3924  -22.1200
            5   C8y C    14.6049  -21.4200
            6   C8y C    14.6049  -20.0200
            7   C8x C    13.3924  -19.3200
            8   C5x C    15.8173  -22.1200
            9   C2y C    17.0297  -21.4200
            10  C1y C    17.0297  -20.0200
            11  C1y C    15.8173  -19.3200
            12  C2y C    18.2422  -22.1200
            13  C1z C    19.4546  -21.4200
            14  C1y C    19.4546  -20.0200
            15  C1y C    18.2422  -19.3200
            16  C5x C    20.6670  -22.1200
            17  C2y C    21.8795  -21.4200
            18  C2y C    21.8795  -20.0200
            19  C1y C    20.6670  -19.3200
            20  C5a C    23.1146  -22.1334
            21  N1a N    24.3219  -21.4366
            22  O5a O    23.1142  -23.5199
            23  O1a O    23.1146  -19.3066
            24  N1c N    20.6670  -17.9201
            25  C1a C    19.4418  -17.2126
            26  C1a C    21.8667  -17.2274
            27  O1a O    18.2422  -17.9203 #-
            28  C1a C    15.8173  -17.9200
            29  O1a O    13.3924  -23.5198 #-
            30  O5x O    15.8173  -23.5200
            31  O1a O    18.2422  -23.5197 #-
            32  O1a O    19.4546  -22.8200 #-
            33  O5x O    20.6670  -23.5199
            34  Z   Ca   29.8200  -20.5939 #2+
BOND        35
            1     2   3 1
            2     3   4 2
            3     4   5 1
            4     5   6 2
            5     6   7 1
            6     2   7 2
            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   17  20 1
            23   20  21 1
            24   20  22 2
            25   18  23 1
            26   19  24 1 #Down
            27   24  25 1
            28   24  26 1
            29   15  27 1 #Down
            30   11  28 1 #Down
            31    4  29 1
            32    8  30 2
            33   12  31 1
            34   13  32 1 #Down
            35   16  33 2
BRACKET     1    28.4200  -21.9100   28.4200  -18.9700
            1    32.2000  -18.9700   32.2000  -21.9100
            1  2
 ORIGINAL  1    1
 REPEAT    1   36

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