KEGG   COMPOUND: C04875
Entry
C04875                      Compound                               

Name
(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol;
(+/-)-Dihydrobunolol
Formula
C17H27NO3
Exact mass
293.1991
Mol weight
293.4012
Structure
Reaction
Enzyme
Other DBs
PubChem: 7427
ChEBI: 29109
NIKKAJI: J2.757.164F
KCF data

ATOM        21
            1   C8y C    19.0777  -16.5344
            2   C8y C    17.8623  -15.8366
            3   C8y C    20.2872  -15.8366
            4   C1x C    19.0777  -17.9302
            5   C8x C    17.8623  -14.4351
            6   C1y C    16.6469  -16.5344
            7   C8x C    20.2872  -14.4351
            8   O2a O    21.4970  -16.5285
            9   C1x C    17.8679  -18.6396
            10  C8x C    19.0777  -13.7371
            11  C1x C    16.6525  -17.9359
            12  O1a O    15.4371  -15.8424
            13  C1b C    22.7007  -15.8366
            14  C1c C    23.9161  -16.5285
            15  C1b C    25.1259  -15.8309
            16  O1a O    23.9161  -17.9302
            17  N1b N    26.3414  -16.5285
            18  C1d C    27.5510  -15.8309
            19  C1a C    28.7881  -16.5459
            20  C1a C    27.5519  -14.4488
            21  C1a C    28.7761  -15.1241
BOND        22
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    6  11 1
            11    6  12 1
            12    8  13 1
            13   13  14 1
            14   14  15 1
            15   14  16 1 #Either
            16   15  17 1
            17   17  18 1
            18    7  10 2
            19    9  11 1
            20   18  19 1
            21   18  20 1
            22   18  21 1

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