Entry
Name
Almitrine mesylate (USAN); Vectarion (TN)
Formula
C26H29F2N7. (CH4SO3)2
Exact mass
669.2215
Mol weight
669.7635
Structure
Mol file KCF file DB search
Simcomp
Neighbor
Remark
Efficacy
Respiratory stimulant
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303 ]
R RESPIRATORY SYSTEM
R07 OTHER RESPIRATORY SYSTEM PRODUCTS
R07A OTHER RESPIRATORY SYSTEM PRODUCTS
R07AB Respiratory stimulants
R07AB07 Almitrine
D02822 Almitrine mesylate (USAN)
BRITE hierarchy
Other DBs
KCF data
Show ATOM 45
1 S4a S 29.8066 -15.7113
2 C1a C 28.3966 -15.7113
3 O1d O 31.2166 -15.7113
4 O1d O 29.8066 -14.3014
5 O1d O 29.8066 -17.1213
6 C8x C 19.1772 -19.4523
7 C8y C 19.1772 -20.8562
8 C8x C 20.3930 -21.5582
9 C8x C 21.6090 -20.8562
10 C8y C 21.6090 -19.4523
11 C8x C 20.3930 -18.7503
12 C8x C 24.0406 -20.8562
13 C8y C 24.0406 -19.4523
14 C1c C 22.8248 -18.7503
15 C8x C 25.2566 -21.5582
16 C8y C 26.4724 -20.8562
17 C8x C 26.4724 -19.4523
18 C8x C 25.2566 -18.7503
19 N1y N 22.8248 -17.3463
20 C1x C 24.0428 -16.6431
21 C1x C 24.0428 -15.2392
22 N1y N 22.8268 -14.5372
23 C1x C 21.6090 -15.2404
24 C1x C 21.6090 -16.6443
25 C8y C 22.8268 -13.1344
26 N5x N 24.0433 -12.4321
27 C8y C 24.0433 -11.0282
28 N5x N 22.8273 -10.3262
29 C8y C 21.6110 -11.0285
30 N5x N 21.6110 -12.4324
31 X F 17.9614 -21.5582
32 X F 27.6924 -21.5605
33 N1b N 20.4126 -10.3364
34 N1b N 25.2421 -10.3358
35 C1b C 19.2221 -11.0236
36 C2b C 18.0275 -10.3337
37 C2a C 16.8346 -11.0222
38 C1b C 26.4331 -11.0233
39 C2b C 27.6276 -10.3335
40 C2a C 28.8204 -11.0222
41 S4a S 29.8066 -15.7113
42 C1a C 28.3966 -15.7113
43 O1d O 31.2166 -15.7113
44 O1d O 29.8066 -14.3014
45 O1d O 29.8066 -17.1213
BOND 46
1 6 7 2
2 7 8 1
3 8 9 2
4 9 10 1
5 10 11 2
6 6 11 1
7 12 13 1
8 13 14 1
9 10 14 1
10 12 15 2
11 15 16 1
12 16 17 2
13 17 18 1
14 13 18 2
15 14 19 1
16 19 20 1
17 20 21 1
18 21 22 1
19 22 23 1
20 23 24 1
21 19 24 1
22 22 25 1
23 25 26 2
24 26 27 1
25 27 28 2
26 28 29 1
27 29 30 2
28 25 30 1
29 7 31 1
30 16 32 1
31 29 33 1
32 27 34 1
33 33 35 1
34 35 36 1
35 36 37 2
36 34 38 1
37 38 39 1
38 39 40 2
39 1 2 1
40 1 3 1
41 1 4 2
42 1 5 2
43 41 42 1
44 41 43 1
45 41 44 2
46 41 45 2
BRACKET 1 26.5300 -17.7800 26.5300 -13.5800
1 32.4800 -13.5800 32.4800 -17.7800
1 2
ORIGINAL 1 1 2 3 4 5
REPEAT 1 41 42 43 44 45