| Entry |
|
|---|
| Name |
Cetrimonium bromide (NF/INN) |
|---|
| Formula |
C19H42N. Br
|
|---|
| Exact mass |
363.2501
|
|---|
| Mol weight |
364.4475
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
|
|---|
| Efficacy |
Antiseptic, Disinfectant |
|---|
| Comment |
Quaternary ammonium compound
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
D DERMATOLOGICALS
D08 ANTISEPTICS AND DISINFECTANTS
D08A ANTISEPTICS AND DISINFECTANTS
D08AJ Quaternary ammonium compounds
D08AJ02 Cetrimonium
D03454 Cetrimonium bromide (NF/INN)
R RESPIRATORY SYSTEM
R02 THROAT PREPARATIONS
R02A THROAT PREPARATIONS
R02AA Antiseptics
R02AA17 Cetrimonium
D03454 Cetrimonium bromide (NF/INN)
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 21
1 N1d N 16.9400 -10.8500 #+
2 C1b C 18.2000 -10.1500
3 C1b C 19.3900 -10.8500
4 C1b C 20.5800 -10.1500
5 C1b C 21.7700 -10.8500
6 C1b C 23.0300 -10.1500
7 C1b C 24.2200 -10.8500
8 C1b C 25.4100 -10.1500
9 C1b C 26.6700 -10.8500
10 C1b C 27.8600 -10.1500
11 C1b C 29.0500 -10.8500
12 C1b C 30.2400 -10.1500
13 C1b C 31.5000 -10.8500
14 C1b C 32.6900 -10.0800
15 C1b C 33.8800 -10.7800
16 C1b C 35.1400 -10.0800
17 C1a C 36.3300 -10.7800
18 C1a C 15.7500 -11.5500
19 C1a C 16.2400 -9.6600
20 C1a C 17.6400 -12.0400
21 X Br 17.0800 -8.1900 #-
BOND 19
1 4 5 1
2 10 11 1
3 11 12 1
4 5 6 1
5 12 13 1
6 2 3 1
7 13 14 1
8 6 7 1
9 14 15 1
10 15 16 1
11 7 8 1
12 16 17 1
13 3 4 1
14 8 9 1
15 1 2 1
16 9 10 1
17 1 18 1
18 1 19 1
19 1 20 1
|
|---|
