| Entry |
|
|---|
| Name |
Dibrompropamidine isetionate;
Brolene (TN) |
|---|
| Formula |
C17H18Br2N4O2. (C2H6O4S)2
|
|---|
| Exact mass |
719.9770
|
|---|
| Mol weight |
722.43
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
|
|---|
| Efficacy |
Antiseptic (topical) |
|---|
| Comment |
Amidines
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
D DERMATOLOGICALS
D08 ANTISEPTICS AND DISINFECTANTS
D08A ANTISEPTICS AND DISINFECTANTS
D08AC Biguanides and amidines
D08AC01 Dibrompropamidine
D07813 Dibrompropamidine isetionate
S SENSORY ORGANS
S01 OPHTHALMOLOGICALS
S01A ANTIINFECTIVES
S01AX Other antiinfectives
S01AX14 Dibrompropamidine
D07813 Dibrompropamidine isetionate
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 39
1 C8x C 14.4200 -18.2700
2 C8y C 14.4200 -16.8700
3 C8x C 15.6100 -16.1700
4 C8x C 16.8700 -16.8700
5 C8y C 16.8700 -18.2700
6 C8y C 15.6100 -18.9700
7 O2a O 18.0600 -18.9700
8 C1b C 19.3200 -18.2700
9 C1b C 20.5100 -18.9700
10 C1b C 21.7000 -18.2700
11 O2a O 22.9600 -18.9700
12 C8y C 24.1500 -18.2700
13 C8x C 24.1500 -16.8700
14 C8x C 25.3400 -16.1700
15 C8y C 26.6000 -16.8700
16 C8x C 26.6000 -18.2700
17 C8y C 25.3400 -18.9700
18 C2c C 27.8600 -16.1700
19 N1a N 29.0500 -16.8700
20 C2c C 13.2300 -16.1700
21 N1a N 12.0400 -16.8700
22 X Br 15.6100 -20.3700
23 X Br 25.3400 -20.3700
24 N2a N 13.2300 -14.7700
25 N2a N 27.8600 -14.7700
26 S4a S 35.9800 -19.7400
27 O1d O 35.9800 -21.1400
28 O1d O 35.9800 -18.3400
29 C1b C 34.5800 -19.7400
30 O1d O 37.3800 -19.7400
31 C1b C 33.8800 -18.4800
32 O1a O 32.4800 -18.4800
33 S4a S 35.9800 -19.7400
34 O1d O 35.9800 -21.1400
35 O1d O 35.9800 -18.3400
36 C1b C 34.5800 -19.7400
37 C1b C 33.8800 -18.4800
38 O1a O 32.4800 -18.4800
39 O1d O 37.3800 -19.7400
BOND 38
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 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 2
14 13 14 1
15 14 15 2
16 15 16 1
17 16 17 2
18 12 17 1
19 15 18 1
20 18 19 1
21 2 20 1
22 20 21 1
23 6 22 1
24 17 23 1
25 20 24 2
26 18 25 2
27 26 27 2
28 26 28 2
29 26 29 1
30 26 30 1
31 29 31 1
32 31 32 1
33 33 34 2
34 33 35 2
35 33 36 1
36 33 39 1
37 36 37 1
38 37 38 1
BRACKET 1 31.1500 -21.7700 31.1500 -17.0800
1 38.9200 -17.0800 38.9200 -21.7700
1 2
ORIGINAL 1 26 27 28 29 31 32 30
REPEAT 1 33 34 35 36 37 38 39
|
|---|
