COMPOUND: C04875
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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
Mol file
KCF file
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Reaction
R04623
Enzyme
1.1.1.160
Other DBs
PubChem:
7427
ChEBI:
29109
NIKKAJI:
J2.757.164F
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KCF data
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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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