COMPOUND: C22782
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Entry
C22782 Compound
Name
Cumyl-PEGACLONE;
5-Pentyl-2-(2-phenylpropan-2-yl)-2,5-dihydro-1H-pyrido[4,3-b]indol-1-one
Formula
C25H28N2O
Exact mass
372.2202
Mol weight
372.50
Structure
Mol file
KCF file
DB search
Brite
Narcotics and psychotropics in Japan [
br08308.html
]
Narcotics by Cabinet Order Article 1 (163 substances)
C22782
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Other DBs
CAS:
2160555-55-3
PubChem:
497620137
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KCF data
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ATOM 28
1 C8x C 14.5600 -14.9800
2 C8x C 14.5600 -16.3800
3 C8x C 15.6800 -17.0800
4 C8y C 16.9400 -16.3800
5 C8y C 16.9400 -14.9800
6 C8x C 15.6800 -14.2800
7 N4y N 18.3400 -16.8000
8 C8y C 19.1800 -15.6800
9 C8y C 18.3400 -14.5600
10 C1b C 18.9000 -18.2000
11 C1b C 20.7900 -19.5300
12 C1b C 20.3000 -18.3400
13 C1a C 22.6100 -20.9300
14 C1b C 22.1200 -19.7400
15 C8x C 20.5100 -15.4700
16 C8x C 21.0700 -14.2100
17 N4y N 20.2300 -13.0900
18 C8y C 18.9000 -13.3000
19 C1d C 20.7900 -11.8300
20 C8y C 22.1900 -11.4800
21 C1a C 20.7900 -10.4300
22 C1a C 21.7700 -12.8100
23 C8x C 23.1700 -12.4600
24 C8x C 24.5000 -12.1100
25 C8x C 24.9200 -10.7800
26 C8x C 23.8700 -9.7300
27 C8x C 22.5400 -10.0800
28 O5x O 18.0476 -12.1894
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 7 10 1
12 11 12 1
13 10 12 1
14 13 14 1
15 11 14 1
16 8 15 1
17 15 16 2
18 16 17 1
19 17 18 1
20 9 18 1
21 17 19 1
22 19 20 1
23 19 21 1
24 19 22 1
25 20 23 2
26 23 24 1
27 24 25 2
28 25 26 1
29 26 27 2
30 20 27 1
31 18 28 2
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