KEGG   COMPOUND: C07753Help
Entry
C07753                      Compound                               

Name
Ibutilide
Formula
C20H36N2O3S
Exact mass
384.2447
Mol weight
384.5764
Structure
Mol fileKCF fileDB search
Remark
Same as: D08060
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01B ANTIARRHYTHMICS, CLASS I AND III
    C01BD Antiarrhythmics, class III
     C01BD05 Ibutilide
      D08060  Ibutilide (INN)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated ion channels
   Potassium channels
    KCNH2
     D08060  Ibutilide (INN)
BRITE hierarchy
Other DBs
CAS: 122647-31-8
PubChem: 9955
ChEBI: 5856
ChEMBL: CHEMBL533
NIKKAJI: J362.100F
LinkDB All DBs
KCF data Show

ATOM        26
            1   C8y C    30.5900  -18.6900
            2   C8x C    30.5900  -20.0900
            3   C8x C    31.7800  -17.9900
            4   C1c C    29.3300  -17.9900
            5   C8x C    31.7800  -20.8600
            6   C8x C    33.0400  -18.6900
            7   C1b C    28.1400  -18.6900
            8   O1a O    29.3300  -16.5900
            9   C8y C    33.0400  -20.0900
            10  C1b C    26.8800  -17.9900
            11  N1b N    34.2300  -20.7900
            12  C1b C    25.6900  -18.6900
            13  S4a S    35.4900  -20.0900
            14  N1c N    24.5000  -17.9900
            15  C1a C    36.6800  -20.7900
            16  O3c O    34.2300  -19.3900
            17  O3c O    36.5400  -19.3900
            18  C1b C    24.5000  -16.5900
            19  C1a C    25.6900  -15.8900
            20  C1b C    23.2400  -18.6900
            21  C1b C    22.0500  -17.9900
            22  C1b C    20.8600  -18.6900
            23  C1b C    19.6700  -17.9900
            24  C1b C    18.4100  -18.6900
            25  C1b C    17.2200  -17.9900
            26  C1a C    16.0300  -18.6900
BOND        26
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     3   6 1
            6     4   7 1
            7     4   8 1
            8     5   9 1
            9     7  10 1
            10    9  11 1
            11   10  12 1
            12   11  13 1
            13   12  14 1
            14   13  15 1
            15   13  16 2
            16   13  17 2
            17   14  18 1
            18    6   9 2
            19   18  19 1
            20   14  20 1
            21   20  21 1
            22   21  22 1
            23   22  23 1
            24   23  24 1
            25   24  25 1
            26   25  26 1

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