COMPOUND: C22774
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Entry
C22774 Compound
Name
25I-NBOMe;
2-(4-Iodo-2,5-dimethoxyphenyl)-N-(2-methoxybenzyl)ethanamine
Formula
C18H22INO3
Exact mass
427.0644
Mol weight
427.2767
Structure
Mol file
KCF file
DB search
Brite
Narcotics and psychotropics in Japan [
br08308.html
]
Narcotics by Cabinet Order Article 1 (157 substances)
C22774
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Other DBs
CAS:
919797-19-6
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KCF data
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ATOM 23
1 C8y C 16.1561 -15.3137
2 C8y C 14.9620 -14.6113
3 C8x C 16.1561 -16.7186
4 C1b C 17.3503 -14.6113
5 C8x C 13.7679 -15.3137
6 C8y C 14.9620 -17.3508
7 C1b C 18.6146 -15.3137
8 C8y C 13.7679 -16.7186
9 O2a O 14.9620 -13.2064
10 X I 12.5737 -17.3508
11 O2a O 14.9620 -18.7556
12 C1a C 16.2264 -19.4580
13 C1b C 21.0731 -15.3137
14 N1b N 19.8088 -14.6113
15 C8y C 22.2673 -14.6113
16 C8y C 23.4614 -15.2435
17 C8x C 24.7258 -14.5410
18 C8x C 24.7258 -13.1362
19 C8x C 23.5316 -12.5040
20 C8x C 22.2673 -13.2064
21 O2a O 23.4614 -16.6483
22 C1a C 24.7258 -17.3508
23 C1a C 13.7496 -12.5064
BOND 24
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 2
6 4 7 1
7 5 8 2
8 6 8 1
9 2 9 1
10 8 10 1
11 6 11 1
12 11 12 1
13 13 14 1
14 7 14 1
15 13 15 1
16 15 16 2
17 16 17 1
18 17 18 2
19 18 19 1
20 19 20 2
21 15 20 1
22 16 21 1
23 21 22 1
24 9 23 1
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