COMPOUND: C22818
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Entry
C22818 Compound
Name
ADB-BUTINACA;
N-[(2S)-1-Amino-3,3-dimethyl-1-oxobutan-2-yl]-1-butylindazole-3-carboxamide;
N-(1-Amino-3,3-dimethy-1-oxobutan-2-yl)-1-butyl-1H-indazole-3-carboxamide
Formula
C18H26N4O2
Exact mass
330.2056
Mol weight
330.42
Structure
Mol file
KCF file
DB search
Brite
Narcotics and psychotropics in Japan [
br08308.html
]
Narcotics by Cabinet Order Article 1 (163 substances)
C22818
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Other DBs
CAS:
2682867-55-4
PubChem:
497620173
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KCF data
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ATOM 24
1 C1c C 20.4062 -13.2536
2 N1a N 20.1958 -10.8694
3 C5a C 19.6349 -12.1317
4 C1d C 21.8087 -13.2536
5 C1a C 22.5100 -14.3756
6 C1a C 22.5100 -11.9914
7 C1a C 23.2112 -13.2536
8 O5a O 18.2324 -12.1317
9 C8x C 14.0950 -16.3391
10 C8x C 14.0950 -17.7416
11 C8x C 15.2871 -18.4429
12 C8y C 16.5494 -17.7416
13 C8y C 16.5494 -16.3391
14 C8x C 15.2871 -15.6379
15 N4y N 17.8817 -18.1624
16 N5x N 18.7934 -17.0404
17 C8y C 17.8817 -15.9184
18 C1b C 18.4427 -19.4246
19 N1b N 19.7751 -14.5159
20 C5a C 18.4427 -14.6561
21 O5a O 17.6012 -13.6043
22 C1b C 19.8452 -19.5649
23 C1b C 20.4062 -20.8972
24 C1a C 21.8087 -21.0375
BOND 25
1 2 3 1
2 1 3 1
3 1 4 1
4 4 5 1
5 4 6 1
6 4 7 1
7 3 8 2
8 9 10 2
9 10 11 1
10 11 12 2
11 12 13 1
12 13 14 2
13 9 14 1
14 12 15 1
15 16 17 2
16 13 17 1
17 15 18 1
18 19 20 1
19 17 20 1
20 20 21 2
21 15 16 1
22 18 22 1
23 22 23 1
24 23 24 1
25 1 19 1 #Down
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