KEGG   COMPOUND: C21520
Entry
C21520                      Compound                               

Name
18-502;
4-(2-Hydroxy-3-tert-butylaminopropoxy)-2-methylindole;
4-(3-t-Butylamino-2-hydroxypropoxy)-2-methylindole
Formula
C16H24N2O2
Exact mass
276.1838
Mol weight
276.374
Structure
Comment
Active metabolite of bopindolol
Other DBs
CAS: 23869-98-9
PubChem: 336445158
ChEMBL: CHEMBL1878625
KCF data

ATOM        20
            1   O2a O    13.3773  -15.2079
            2   C8y C    13.3773  -16.5333
            3   C8x C    14.6330  -17.2309
            4   C8x C    14.6330  -18.6261
            5   C8x C    13.3773  -19.3237
            6   C8y C    12.1914  -17.2309
            7   C8y C    12.1914  -18.6261
            8   N4x N    10.8659  -19.0446
            9   C8y C    10.0288  -17.8587
            10  C8x C    10.8659  -16.7426
            11  C1a C     8.6336  -17.8587
            12  C1b C    14.6330  -14.5103
            13  C1c C    15.8189  -15.2079
            14  C1b C    17.0048  -14.5103
            15  N1b N    18.1907  -15.2079
            16  C1d C    19.3766  -14.5103
            17  C1a C    20.6323  -15.2079
            18  C1a C    19.3766  -13.1151
            19  C1a C    20.6323  -13.7429
            20  O1a O    15.8189  -16.6031
BOND        21
            1     2   3 2
            2     3   4 1
            3     4   5 2
            4     5   7 1
            5     6   2 1
            6     1   2 1
            7     6   7 2
            8     7   8 1
            9     8   9 1
            10    9  10 2
            11   10   6 1
            12    9  11 1
            13    1  12 1
            14   12  13 1
            15   16  17 1
            16   16  18 1
            17   16  19 1
            18   13  14 1
            19   14  15 1
            20   15  16 1
            21   13  20 1

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