Entry |
|
Name |
Cetyltrimethylammonium bromide;
Cetrimonium bromide;
Trimethylcetylammonium bromide;
Hexadecanyltrimethylammonium bromide;
CTAB
|
Formula |
C19H42N. Br
|
Exact mass |
363.2501
|
Mol weight |
364.4475
|
Structure |
|
Remark |
|
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 |
|
LinkDB |
|
KCF data |
ATOM 21
1 N1d N 18.9256 -20.2423 #+
2 C1b C 20.1352 -19.5349
3 C1b C 21.3448 -20.2352
4 C1b C 22.5543 -19.5278
5 C1b C 23.7639 -20.2281
6 C1b C 24.9735 -19.5208
7 C1b C 26.1830 -20.2211
8 C1b C 27.3926 -19.5137
9 C1b C 28.6022 -20.2140
10 C1b C 29.8117 -19.5066
11 C1b C 31.0213 -20.2068
12 C1b C 32.2308 -19.4996
13 C1b C 33.4404 -20.1999
14 C1b C 34.6500 -19.4925
15 C1b C 35.8595 -20.1928
16 C1b C 37.0691 -19.4854
17 C1a C 38.2787 -20.1856
18 C1a C 17.9283 -19.2450
19 C1a C 17.7089 -20.9355
20 C1a C 19.2864 -21.5933
21 X Br 19.0671 -17.5543 #-
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 1 18 1
15 8 9 1
16 1 19 1
17 1 2 1
18 1 20 1
19 9 10 1
|