Entry |
|
Name |
Chlorhexidine acetate (USP); Chlorhexidine diacetate; Nolvasan (TN) |
Formula |
C22H30Cl2N10. (C2H4O2)2
|
Exact mass |
624.2455
|
Mol weight |
625.5505
|
Structure |
|
Simcomp |
|
Remark |
Product (DG00001): | D00858<JP/US> |
|
Efficacy |
Antiseptic, Disinfectant, Cell membrane function inhibitor |
Comment |
Biguanide
|
Target |
Lipopolysaccharide Lipoteichoic acid |
Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
A ALIMENTARY TRACT AND METABOLISM
A01 STOMATOLOGICAL PREPARATIONS
A01A STOMATOLOGICAL PREPARATIONS
A01AB Antiinfectives and antiseptics for local oral treatment
A01AB03 Chlorhexidine
D07669 Chlorhexidine acetate (USP)
B BLOOD AND BLOOD FORMING ORGANS
B05 BLOOD SUBSTITUTES AND PERFUSION SOLUTIONS
B05C IRRIGATING SOLUTIONS
B05CA Antiinfectives
B05CA02 Chlorhexidine
D07669 Chlorhexidine acetate (USP)
D DERMATOLOGICALS
D08 ANTISEPTICS AND DISINFECTANTS
D08A ANTISEPTICS AND DISINFECTANTS
D08AC Biguanides and amidines
D08AC02 Chlorhexidine
D07669 Chlorhexidine acetate (USP)
D09 MEDICATED DRESSINGS
D09A MEDICATED DRESSINGS
D09AA Medicated dressings with antiinfectives
D09AA12 Chlorhexidine
D07669 Chlorhexidine acetate (USP)
R RESPIRATORY SYSTEM
R02 THROAT PREPARATIONS
R02A THROAT PREPARATIONS
R02AA Antiseptics
R02AA05 Chlorhexidine
D07669 Chlorhexidine acetate (USP)
S SENSORY ORGANS
S01 OPHTHALMOLOGICALS
S01A ANTIINFECTIVES
S01AX Other antiinfectives
S01AX09 Chlorhexidine
D07669 Chlorhexidine acetate (USP)
S02 OTOLOGICALS
S02A ANTIINFECTIVES
S02AA Antiinfectives
S02AA09 Chlorhexidine
D07669 Chlorhexidine acetate (USP)
S03 OPHTHALMOLOGICAL AND OTOLOGICAL PREPARATIONS
S03A ANTIINFECTIVES
S03AA Antiinfectives
S03AA04 Chlorhexidine
D07669 Chlorhexidine acetate (USP)
|
Other DBs |
|
KCF data |
ATOM 42
1 C8y C 16.0337 -20.5147
2 N1b N 17.2240 -21.2149
3 C8x C 14.7733 -21.2149
4 C8x C 16.0337 -19.1143
5 C2c C 18.4143 -20.5147
6 C8x C 13.5830 -20.5147
7 C8x C 14.7733 -18.4141
8 N1b N 19.6747 -21.2149
9 N2a N 18.4143 -19.1143
10 C8y C 13.5830 -19.1143
11 C2c C 20.8650 -20.5147
12 X Cl 12.3927 -18.4141
13 N1b N 22.0553 -21.2149
14 N2a N 20.8650 -19.1143
15 C1b C 23.3156 -20.5147
16 C1b C 24.5059 -21.2149
17 C1b C 25.6963 -20.5147
18 C1b C 26.9566 -21.2149
19 C1b C 28.1469 -20.5147
20 C1b C 29.3372 -21.2149
21 N1b N 30.5976 -20.5147
22 C2c C 31.7879 -21.2149
23 N1b N 32.9782 -20.5147
24 N2a N 31.7879 -22.6152
25 C2c C 34.2385 -21.2149
26 N1b N 35.4288 -20.5147
27 N2a N 34.2385 -22.6152
28 C8y C 36.6192 -21.2149
29 C8x C 36.6192 -22.6152
30 C8x C 37.8795 -20.5147
31 C8x C 37.8795 -23.3154
32 C8x C 39.0698 -21.2149
33 C8y C 39.0698 -22.6152
34 X Cl 40.2601 -23.3154
35 C6a C 45.5075 -21.9132
36 C1a C 46.6979 -22.6134
37 O6a O 44.3172 -22.6134
38 O6a O 45.5075 -20.5128
39 C6a C 45.5075 -21.9132
40 C1a C 46.6979 -22.6134
41 O6a O 44.3172 -22.6134
42 O6a O 45.5075 -20.5128
BOND 41
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 3 6 1
6 4 7 2
7 5 8 1
8 5 9 2
9 6 10 2
10 8 11 1
11 10 12 1
12 11 13 1
13 11 14 2
14 13 15 1
15 15 16 1
16 16 17 1
17 17 18 1
18 18 19 1
19 19 20 1
20 20 21 1
21 21 22 1
22 22 23 1
23 22 24 2
24 23 25 1
25 25 26 1
26 25 27 2
27 26 28 1
28 28 29 2
29 28 30 1
30 29 31 1
31 30 32 2
32 31 33 2
33 33 34 1
34 7 10 1
35 32 33 1
36 35 36 1
37 35 37 1
38 35 38 2
39 39 40 1
40 39 41 1
41 39 42 2
BRACKET 1 42.6300 -23.5200 42.6300 -19.6000
1 48.6500 -19.6000 48.6500 -23.5200
1 2
ORIGINAL 1 35 36 37 38
REPEAT 1 39 40 41 42
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