KEGG   COMPOUND: C13820
Entry
C13820                      Compound                               

Name
Chromanol 293B
Formula
C15H20N2O4S
Exact mass
324.1144
Mol weight
324.3953
Structure
Pathway
map07232  Potassium channel blocking and opening drugs
Brite
Target-based classification of compounds [BR:br08010]
 Ion channels
  Voltage-gated cation channels
   K+ channel, KCNQ, Kv7.x (KQT-like)
    potassium voltage-gated channel, KQT-like subfamily, member 1
     C13820  Chromanol 293B
Other DBs
CAS: 163163-23-3
PubChem: 854065
ChEBI: 34637
ChEMBL: CHEMBL434045
NIKKAJI: J758.770H
LinkDB
KCF data

ATOM        22
            1   C8x C    25.7265  -22.0879
            2   C8y C    25.7265  -23.4874
            3   C8x C    26.9387  -24.1871
            4   C8y C    28.1505  -23.4874
            5   C8y C    28.1505  -22.0879
            6   C8x C    26.9387  -21.3883
            7   C1y C    29.3624  -24.1871
            8   C1y C    30.5744  -23.4874
            9   C1z C    30.5744  -22.0879
            10  O2x O    29.3624  -21.3883
            11  C1a C    31.2776  -20.8752
            12  C1a C    31.9773  -22.0879
            13  O1a O    31.7889  -24.1886
            14  N1c N    29.3623  -25.5865
            15  S4a S    28.1525  -26.2850
            16  C1a C    30.5764  -26.2874
            17  O3c O    27.4517  -25.0721
            18  O3c O    28.8509  -27.4973
            19  C1b C    26.9398  -26.9847
            20  C1a C    25.7271  -26.2841
            21  C3b C    24.5148  -24.1870
            22  N3a N    23.3005  -24.8854
BOND        23
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13    9  12 1
            14    8  13 1 #Down
            15    7  14 1 #Up
            16   14  15 1
            17   14  16 1
            18   15  17 2
            19   15  18 2
            20   15  19 1
            21   19  20 1
            22    2  21 1
            23   21  22 3

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