COMPOUND: C22718
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Entry
C22718 Compound
Name
1-(5-Fluoropentyl)-1H-indole-3-carboxylic acid 8-quinolinyl ester;
Quinolin-8-yl 1-(5-fluoropentyl)-1H-indole-3-carboxylate;
5F-PB-22
Formula
C23H21FN2O2
Exact mass
376.1587
Mol weight
376.4234
Structure
Mol file
KCF file
DB search
Brite
Narcotics and psychotropics in Japan [
br08308.html
]
Narcotics by Cabinet Order Article 1 (157 substances)
C22718
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Other DBs
CAS:
1400742-41-7
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KCF data
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ATOM 28
1 C8x C 6.6020 -35.5047
2 C8x C 6.6020 -36.9002
3 C8x C 7.7881 -37.5980
4 C8y C 9.0441 -36.9002
5 C8y C 9.0441 -35.5047
6 C8x C 7.7881 -34.8070
7 N4y N 10.3698 -37.3189
8 C8x C 11.2071 -36.2025
9 C8y C 10.3698 -35.0861
10 C7a C 10.7884 -33.7604
11 O7a O 12.1839 -33.4813
12 C8y C 12.6026 -32.1556
13 C1b C 10.9197 -38.6063
14 C1b C 12.8592 -40.0618
15 C1b C 12.3096 -38.7742
16 C1b C 14.7987 -41.5173
17 C1b C 14.2491 -40.2296
18 X F 16.1886 -41.6851
19 O6a O 9.7985 -32.7704
20 C8y C 13.9722 -31.8526
21 C8y C 14.3939 -30.5176
22 C8x C 13.4485 -29.4850
23 C8x C 12.0789 -29.7879
24 C8x C 11.6572 -31.1229
25 N5x N 14.9176 -32.8853
26 C8x C 16.2845 -32.5829
27 C8x C 16.7062 -31.2479
28 C8x C 15.7608 -30.2153
BOND 31
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 2
10 5 9 1
11 9 10 1
12 10 11 1
13 11 12 1
14 7 13 1
15 14 15 1
16 13 15 1
17 16 17 1
18 14 17 1
19 16 18 1
20 10 19 2
21 12 20 2
22 20 21 1
23 21 22 2
24 22 23 1
25 23 24 2
26 12 24 1
27 20 25 1
28 25 26 2
29 26 27 1
30 27 28 2
31 21 28 1
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