KEGG   DRUG: IbacitabineHelp
Entry
D07200                      Drug                                   

Name
Ibacitabine (INN)
Formula
C9H12IN3O4
Exact mass
352.9872
Mol weight
353.1138
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Class
Antiviral
 DG01440  Arabinofuranosyl type antiviral
Remark
ATC code: 
Activity
Antiviral
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: 
ChEMBL: 
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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