COMPOUND: C22814
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Entry
C22814 Compound
Name
Clonazolam;
6-(2-Chlorophenyl)-1-methyl-8-nitro-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine;
6-(2-Chlorophenyl)-1-methyl-8-nitro-4H-s-triazolo[4,3-a][1,4]benzodiazepine
Formula
C17H12ClN5O2
Exact mass
353.0680
Mol weight
353.76
Structure
Mol file
KCF file
DB search
Brite
Narcotics and psychotropics in Japan [
br08308.html
]
Psychotropics by Cabinet order Article 3 (78 substances)
C22814
BRITE hierarchy
Other DBs
CAS:
33887-02-4
PubChem:
497620169
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KCF data
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ATOM 25
1 C2y C 19.3900 -16.3800
2 C8y C 18.5500 -15.2600
3 C8y C 18.9000 -13.8600
4 N4y N 20.1600 -13.3000
5 N2x N 20.7900 -16.3800
6 C8y C 21.4200 -13.9300
7 C1x C 21.7000 -15.3300
8 C8x C 17.9200 -12.8800
9 C8x C 16.5200 -13.3000
10 C8y C 16.2400 -14.6300
11 C8x C 17.2200 -15.6800
12 N2b N 14.8400 -15.1200 #+
13 C8y C 18.7600 -17.6400
14 C8x C 17.3600 -17.6400
15 C8x C 16.6600 -18.9000
16 C8x C 17.3600 -20.0200
17 C8x C 18.7600 -20.0200
18 C8y C 19.4600 -18.9000
19 X Cl 20.8600 -18.9000
20 N5x N 22.4000 -12.9500
21 N5x N 21.7700 -11.6900
22 C8y C 20.3700 -11.9000
23 C1a C 19.4600 -10.8500
24 O3a O 14.5798 -16.4956 #-
25 O3a O 13.7788 -14.2069
BOND 28
1 3 4 1
2 1 5 2
3 4 6 1
4 2 3 1
5 5 7 1
6 1 2 1
7 6 7 1
8 3 8 2
9 8 9 1
10 9 10 2
11 10 11 1
12 2 11 2
13 10 12 1
14 1 13 1
15 13 14 1
16 14 15 2
17 15 16 1
18 16 17 2
19 17 18 1
20 13 18 2
21 18 19 1
22 6 20 2
23 20 21 1
24 21 22 2
25 4 22 1
26 22 23 1
27 12 24 1
28 12 25 2
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