Entry
Name
Tirilazad mesilate (JAN); Tirilazad mesylate; Freedox (TN)
Formula
C38H52N6O2. CH4SO3
Exact mass
720.4033
Mol weight
720.97
Structure
Mol file KCF file DB search
Simcomp
Neighbor
Remark
Efficacy
Cerebroprotective, Lipid peroxidation inhibitor
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303 ]
N NERVOUS SYSTEM
N07 OTHER NERVOUS SYSTEM DRUGS
N07X OTHER NERVOUS SYSTEM DRUGS
N07XX Other nervous system drugs
N07XX01 Tirilazad
D01930 Tirilazad mesilate (JAN)
BRITE hierarchy
Other DBs
LinkDB
All DBs
KCF data
Show ATOM 51
1 C1x C 24.8960 -23.5968
2 C1y C 24.8960 -22.2185
3 C1y C 23.7065 -21.5294
4 C8y C 23.6934 -11.8884
5 N5x N 23.6934 -13.2667
6 C8y C 24.8900 -13.9558
7 C8x C 26.0795 -13.2667
8 C8y C 26.0795 -11.8884
9 N5x N 24.8900 -11.1993
10 N1y N 22.5001 -11.1988
11 N1y N 27.2734 -11.2003
12 C1x C 22.4966 -9.7738
13 C1x C 21.0088 -9.5330
14 C1x C 20.3193 -10.7263
15 C1x C 21.2408 -11.7511
16 N1y N 24.8978 -15.3294
17 C1x C 23.7050 -16.0200
18 C1x C 23.7067 -17.3983
19 N1y N 24.9012 -18.0859
20 C1x C 26.0939 -17.3952
21 C1x C 26.1387 -16.0170
22 C1b C 24.9029 -19.4642
23 C5a C 23.7102 -20.1549
24 O5a O 22.5157 -19.4671
25 C1a C 26.0901 -21.5303
26 C1y C 22.5100 -23.5968
27 C1z C 22.5100 -22.2185
28 C1x C 21.3164 -21.5294
29 C2x C 20.1229 -22.2185
30 C1y C 21.3164 -24.2859
31 C2y C 20.1230 -23.5965
32 C1x C 20.1222 -26.3530
33 C1x C 21.3159 -25.6642
34 C2y C 18.9288 -25.6633
35 C1z C 18.9337 -24.2920
36 C2x C 17.7484 -23.6022
37 C2x C 16.5117 -24.2836
38 C5x C 16.5534 -25.6551
39 C2x C 17.7387 -26.3450
40 O5x O 15.3573 -26.3400
41 C1a C 18.9251 -22.9077
42 C1a C 22.5031 -20.8403
43 C1x C 28.5916 -11.6669
44 C1x C 29.4509 -10.5616
45 C1x C 28.6652 -9.4029
46 C1x C 27.3204 -9.7920
47 S4a S 31.5417 -19.3011
48 O1d O 31.6048 -17.9053
49 O1d O 31.6048 -20.6968
50 O1d O 32.9375 -19.3011
51 C1a C 30.1460 -19.2939
BOND 57
1 2 3 1
2 3 27 1
3 26 1 1
4 2 25 1 #Down
5 10 12 1
6 12 13 1
7 13 14 1
8 14 15 1
9 26 27 1
10 27 28 1
11 28 29 1
12 29 31 2
13 30 26 1
14 15 10 1
15 4 5 2
16 5 6 1
17 6 7 2
18 7 8 1
19 30 31 1
20 31 35 1
21 34 32 1
22 32 33 1
23 33 30 1
24 8 9 2
25 9 4 1
26 16 17 1
27 17 18 1
28 18 19 1
29 19 20 1
30 34 35 1
31 35 36 1
32 36 37 2
33 37 38 1
34 38 39 1
35 39 34 2
36 20 21 1
37 38 40 2
38 21 16 1
39 35 41 1 #Up
40 6 16 1
41 27 42 1 #Up
42 19 22 1
43 4 10 1
44 22 23 1
45 3 23 1 #Up
46 23 24 2
47 8 11 1
48 1 2 1
49 11 43 1
50 43 44 1
51 44 45 1
52 45 46 1
53 11 46 1
54 47 48 2
55 47 49 2
56 47 50 1
57 47 51 1