COMPOUND: C22788
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Entry
C22788 Compound
Name
MDMB-4EN-PINACA;
Methyl (2S)-3,3-dimethyl-2-[1-(pent-4-en-1-yl)-1H-indazole-3-carboxamido]butanoate
Formula
C20H27N3O3
Exact mass
357.2052
Mol weight
357.45
Structure
Mol file
KCF file
DB search
Brite
Narcotics and psychotropics in Japan [
br08308.html
]
Narcotics by Cabinet Order Article 1 (163 substances)
C22788
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Other DBs
CAS:
2504100-70-1
PubChem:
497620143
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KCF data
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ATOM 26
1 C1c C 24.7324 -31.3040
2 O7a O 24.5222 -28.9214
3 C7a C 23.9615 -30.1828
4 O6a O 22.4899 -30.1828
5 C1d C 26.1339 -31.3040
6 C1a C 26.8347 -32.4953
7 C1a C 26.8347 -30.0426
8 C1a C 27.5355 -31.3040
9 C8x C 18.4254 -34.3874
10 C8x C 18.4254 -35.7890
11 C8x C 19.5466 -36.4898
12 C8y C 20.8080 -35.7890
13 C8y C 20.8080 -34.3874
14 C8x C 19.5466 -33.6866
15 N4y N 22.1395 -36.2094
16 N5x N 23.0505 -35.0882
17 C8y C 22.1395 -33.9670
18 C1b C 22.7001 -37.5409
19 N1b N 24.1017 -32.6355
20 C5a C 22.7001 -32.7756
21 O5a O 21.8592 -31.6544
22 C1b C 24.7324 -38.9425
23 C1b C 24.1718 -37.6811
24 C2a C 26.6245 -40.3440
25 C2b C 26.0639 -39.0826
26 C1a C 23.5322 -27.9314
BOND 27
1 2 3 1
2 1 3 1
3 3 4 2
4 1 5 1
5 5 6 1
6 5 7 1
7 5 8 1
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 22 23 1
23 18 23 1
24 24 25 2
25 22 25 1
26 1 19 1 #Down
27 2 26 1
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