COMPOUND: C22777
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Entry
C22777 Compound
Name
Brorphine;
1-{1-[1-(4-Bromophenyl)ethyl]piperidin-4-yl}-1,3-dihydro-2H-benzo[d]imidazol-2-one
Formula
C20H22BrN3O
Exact mass
399.0946
Mol weight
400.3122
Structure
Mol file
KCF file
DB search
Brite
Narcotics and psychotropics in Japan [
br08308.html
]
Narcotics by Cabinet Order Article 1 (157 substances)
C22777
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CAS:
2244737-98-0
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KCF data
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ATOM 25
1 C1c C 18.0162 -30.1941
2 N1y N 19.2079 -29.5632
3 C1x C 20.3997 -30.1941
4 C1x C 21.5915 -29.4931
5 C1y C 21.5915 -28.1611
6 C1x C 20.3997 -27.4601
7 C1x C 19.2079 -28.1611
8 N4y N 22.8533 -27.3900
9 C8y C 22.8533 -25.9879
10 O5x O 21.6616 -25.2869
11 C8y C 24.1853 -27.8807
12 C8y C 25.0265 -26.6889
13 N4x N 24.1853 -25.5673
14 C8x C 26.4286 -26.6889
15 C8x C 27.1296 -27.9508
16 C8x C 26.4286 -29.1426
17 C8x C 25.0265 -29.1426
18 C1a C 17.9650 -31.5932
19 C8x C 16.7831 -28.1611
20 C8y C 16.7831 -29.5632
21 C8x C 15.5706 -27.4611
22 C8y C 14.3582 -28.1611
23 C8x C 14.3582 -29.5632
24 C8x C 15.5706 -30.2632
25 X Br 13.1458 -27.4611
BOND 28
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 2 7 1
8 5 8 1
9 8 9 1
10 9 10 2
11 8 11 1
12 11 12 2
13 12 13 1
14 9 13 1
15 12 14 1
16 14 15 2
17 15 16 1
18 16 17 2
19 17 11 1
20 1 18 1
21 19 20 1
22 20 1 1
23 19 21 2
24 21 22 1
25 22 23 2
26 23 24 1
27 20 24 2
28 22 25 1
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