Entry
Name
Prenoxdiazine hydrochloride; libexin (TN)
Formula
C23H27N3O. HCl
Exact mass
397.1921
Mol weight
397.94
Structure
Mol file KCF file DB search
Simcomp
Neighbor
Remark
Efficacy
Antitussive
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303 ]
R RESPIRATORY SYSTEM
R05 COUGH AND COLD PREPARATIONS
R05D COUGH SUPPRESSANTS, EXCL. COMBINATIONS WITH EXPECTORANTS
R05DB Other cough suppressants
R05DB18 Prenoxdiazine
D08417 Prenoxdiazine hydrochloride
BRITE hierarchy
Other DBs
LinkDB
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KCF data
Show ATOM 28
1 C8x C 18.4800 -19.8800
2 C8x C 18.4800 -21.2800
3 C8x C 19.6700 -21.9800
4 C8x C 20.8600 -21.2800
5 C8y C 20.8600 -19.8800
6 C8x C 19.6700 -19.1800
7 C1c C 22.1200 -19.1800
8 C8y C 23.3100 -19.8800
9 C8x C 23.3100 -21.2800
10 C8x C 24.5000 -21.9800
11 C8x C 25.7600 -21.2800
12 C8x C 25.7600 -19.8800
13 C8x C 24.5000 -19.1800
14 C1b C 22.1200 -17.7800
15 C8y C 23.3100 -17.0800
16 N5x N 24.6400 -17.6400
17 O2x O 25.5500 -16.5900
18 C8y C 24.8500 -15.4000
19 N5x N 23.4500 -15.6800
20 C1b C 25.4100 -14.0700
21 C1b C 26.8100 -13.9300
22 N1y N 27.6500 -15.0500
23 C1x C 27.0900 -16.3100
24 C1x C 27.9300 -17.4300
25 C1x C 29.3300 -17.2900
26 C1x C 29.8900 -16.0300
27 C1x C 29.0500 -14.9100
28 X Cl 31.2200 -20.0200
BOND 30
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 5 7 1
8 7 8 1
9 8 9 2
10 9 10 1
11 10 11 2
12 11 12 1
13 12 13 2
14 8 13 1
15 7 14 1
16 14 15 1
17 15 16 2
18 16 17 1
19 17 18 1
20 18 19 2
21 15 19 1
22 18 20 1
23 20 21 1
24 21 22 1
25 22 23 1
26 23 24 1
27 24 25 1
28 25 26 1
29 26 27 1
30 22 27 1