KEGG   DRUG: D07200Help
Entry
D07200                      Drug                                   

Name
Ibacitabine (INN)
Formula
C9H12IN3O4
Exact mass
352.9872
Mol weight
353.1138
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antivirals
Remark
ATC code: 
Drug group: 
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D06 ANTIBIOTICS AND CHEMOTHERAPEUTICS FOR DERMATOLOGICAL USE
   D06B CHEMOTHERAPEUTICS FOR TOPICAL USE
    D06BB Antivirals
     D06BB08 Ibacitabine
      D07200  Ibacitabine (INN)
BRITE hierarchy
Other DBs
CAS: 
611-53-0
PubChem: 
LigandBox: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        17
            1   C1x C    26.1100  -20.3700
            2   C1y C    26.5300  -19.0400
            3   O2x O    25.4100  -18.2000
            4   C1y C    24.2900  -19.0400
            5   C1y C    24.7100  -20.3700
            6   C1b C    22.9600  -18.6200
            7   O1a O    21.9100  -19.6000
            8   O1a O    23.9400  -21.4900
            9   N4y N    27.8630  -18.6120
            10  C8y C    29.0703  -19.3237
            11  N5x N    30.2888  -18.6342
            12  C8y C    30.3010  -17.2343
            13  C8y C    29.0919  -16.5222
            14  C8x C    27.8734  -17.2116
            15  O5x O    29.0579  -20.7200
            16  X   I    29.1040  -15.1201
            17  N1a N    31.5324  -16.5376
BOND        18
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     4   6 1 #Up
            7     6   7 1
            8     5   8 1 #Down
            9     2   9 1 #Up
            10    9  10 1
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15    9  14 1
            16   10  15 2
            17   13  16 1
            18   12  17 1

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