Entry |
|
Name |
Lumefantrine (JAN/USP/INN) |
Formula |
C30H32Cl3NO
|
Exact mass |
527.1549
|
Mol weight |
528.9402
|
Structure |
|
Remark |
Product (mixture): | D02484<JP/US> |
|
Efficacy |
Antimalarial |
Comment |
Component of Coartem (TN)
|
Other DBs |
|
KCF data |
ATOM 35
1 C8y C 19.2500 -24.9200
2 C8y C 19.6700 -26.3200
3 C8y C 21.0700 -26.3200
4 C8y C 21.4900 -24.9900
5 C2y C 20.3700 -24.1500
6 C8x C 17.8500 -24.6400
7 C8y C 16.9400 -25.6200
8 C8x C 17.2900 -26.9500
9 C8x C 18.6900 -27.3000
10 C8y C 21.9100 -27.4400
11 C8x C 23.3100 -27.1600
12 C8y C 23.8000 -25.8300
13 C8x C 22.8900 -24.7800
14 C2b C 20.3700 -22.7500
15 C8y C 21.5600 -22.0500
16 C8x C 22.8200 -22.6800
17 C8x C 24.0100 -21.9800
18 C8y C 24.0100 -20.5800
19 C8x C 22.7500 -19.8800
20 C8x C 21.5600 -20.6500
21 X Cl 25.2000 -19.8800
22 X Cl 15.5820 -25.2797
23 X Cl 25.1772 -25.5786
24 C1c C 21.4103 -28.7478
25 O1a O 20.0341 -28.9681
26 C1b C 22.3079 -29.8524
27 N1c N 23.7167 -29.6274
28 C1b C 24.5959 -30.7101
29 C1b C 24.2241 -28.3001
30 C1b C 25.6055 -28.0793
31 C1b C 26.4892 -29.1675
32 C1a C 27.8396 -28.9521
33 C1b C 25.9500 -30.4941
34 C1b C 26.8529 -31.6065
35 C1a C 28.2560 -31.3821
BOND 38
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 1 6 2
7 6 7 1
8 7 8 2
9 8 9 1
10 2 9 2
11 3 10 2
12 10 11 1
13 11 12 2
14 12 13 1
15 4 13 2
16 5 14 2
17 14 15 1
18 15 16 2
19 16 17 1
20 17 18 2
21 18 19 1
22 19 20 2
23 15 20 1
24 18 21 1
25 7 22 1
26 12 23 1
27 10 24 1
28 24 25 1
29 24 26 1
30 26 27 1
31 27 28 1
32 27 29 1
33 29 30 1
34 30 31 1
35 31 32 1
36 28 33 1
37 33 34 1
38 34 35 1
|