Entry
Name
Ibutilide fumarate (USP); Corvert (TN)
Product
Generic
Formula
(C20H36N2O3S)2. C4H4O4
Exact mass
884.5003
Mol weight
885.225
Structure
Mol file KCF file DB search
Simcomp
Neighbor
Class
Cardiovascular agent
DG01653 Antiarrhythmics
DG01648 Class III antiarrhythmic agent
Remark
Product (DG00205): D00648<US>
Efficacy
Antiarrhythmic, Potassium channel blocker
Comment
Sematilide derivative
Target
Interaction
DDI search
Structure map
map07232 Potassium channel blocking and opening drugs
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303 ]
C CARDIOVASCULAR SYSTEM
C01 CARDIAC THERAPY
C01B ANTIARRHYTHMICS, CLASS I AND III
C01BD Antiarrhythmics, class III
C01BD05 Ibutilide
D00648 Ibutilide fumarate (USP) <US>
Drug groups [BR:br08330 ]
Cardiovascular agent
DG01653 Antiarrhythmics
DG01648 Class III antiarrhythmic agent
DG00205 Ibutilide
D00648 Ibutilide fumarate
Drug classes [BR:br08332 ]
Cardiovascular agent
DG01653 Antiarrhythmics
D00648 Ibutilide fumarate
Target-based classification of drugs [BR:br08310 ]
Ion channels
Voltage-gated ion channels
Potassium channels
KCNH2
D00648 Ibutilide fumarate (USP) <US>
Drug groups [BR:br08330 ]
Cardiovascular agent
DG01653 Antiarrhythmics
DG01648 Class III antiarrhythmic agent
DG00205 Ibutilide
BRITE hierarchy
Other DBs
KCF data
Show ATOM 60
1 C6a C 30.6464 -11.5905
2 C2b C 31.8617 -12.2950
3 O6a O 29.4312 -12.2950
4 O6a O 30.6464 -10.1876
5 C2b C 33.0827 -11.5905
6 C6a C 34.2979 -12.2950
7 O6a O 35.5131 -11.5905
8 O6a O 34.2979 -13.6979
9 C8y C 28.2807 -6.5316
10 C8x C 28.2807 -7.9365
11 C8x C 29.4749 -5.8292
12 C1c C 27.0164 -5.8292
13 C8x C 29.4749 -8.6389
14 C8x C 30.7392 -6.5316
15 C1b C 25.8222 -6.5316
16 O1a O 27.0164 -4.4243
17 C8y C 30.7392 -7.9365
18 C1b C 24.6281 -5.8292
19 N1b N 31.9334 -8.6389
20 C1b C 23.3637 -6.5316
21 S4a S 33.1977 -7.9365
22 N1c N 22.1696 -5.8292
23 C1a C 34.3919 -8.6389
24 O3c O 31.9334 -7.2341
25 O3c O 34.2514 -7.2341
26 C1b C 20.9755 -6.4614
27 C1b C 22.1696 -4.4243
28 C1b C 19.7111 -5.8292
29 C1a C 20.9755 -3.7219
30 C1b C 18.5169 -6.4614
31 C1b C 17.3228 -5.7590
32 C1b C 16.0584 -6.4614
33 C1b C 14.8643 -5.7590
34 C1a C 13.6702 -6.4614
35 C8y C 28.2807 -6.5316
36 C8x C 28.2807 -7.9365
37 C8x C 29.4749 -8.6389
38 C8y C 30.7392 -7.9365
39 N1b N 31.9334 -8.6389
40 S4a S 33.1977 -7.9365
41 C1a C 34.3919 -8.6389
42 O3c O 31.9334 -7.2341
43 O3c O 34.2514 -7.2341
44 C8x C 30.7392 -6.5316
45 C8x C 29.4749 -5.8292
46 C1c C 27.0164 -5.8292
47 C1b C 25.8222 -6.5316
48 C1b C 24.6281 -5.8292
49 C1b C 23.3637 -6.5316
50 N1c N 22.1696 -5.8292
51 C1b C 20.9755 -6.4614
52 C1b C 19.7111 -5.8292
53 C1b C 18.5169 -6.4614
54 C1b C 17.3228 -5.7590
55 C1b C 16.0584 -6.4614
56 C1b C 14.8643 -5.7590
57 C1a C 13.6702 -6.4614
58 C1b C 22.1696 -4.4243
59 C1a C 20.9755 -3.7219
60 O1a O 27.0164 -4.4243
BOND 59
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 2
5 5 6 1
6 6 7 1
7 6 8 2
8 9 10 1
9 9 11 2
10 9 12 1
11 10 13 2
12 11 14 1
13 12 15 1
14 12 16 1
15 13 17 1
16 15 18 1
17 17 19 1
18 18 20 1
19 19 21 1
20 20 22 1
21 21 23 1
22 21 24 2
23 21 25 2
24 22 26 1
25 22 27 1
26 26 28 1
27 27 29 1
28 28 30 1
29 30 31 1
30 31 32 1
31 32 33 1
32 33 34 1
33 14 17 2
34 35 36 1
35 35 45 2
36 35 46 1
37 36 37 2
38 45 44 1
39 46 47 1
40 46 60 1
41 37 38 1
42 47 48 1
43 38 39 1
44 48 49 1
45 39 40 1
46 49 50 1
47 40 41 1
48 40 42 2
49 40 43 2
50 50 51 1
51 50 58 1
52 51 52 1
53 58 59 1
54 52 53 1
55 53 54 1
56 54 55 1
57 55 56 1
58 56 57 1
59 44 38 2
BRACKET 1 12.1100 -9.8000 12.1100 -3.0800
1 35.9100 -3.0800 35.9100 -9.8000
1 2
ORIGINAL 1 9 10 13 17 19 21 23 24 25 14 11 12 15 18 20 22
1 26 28 30 31 32 33 34 27 29 16
REPEAT 1 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50
1 51 52 53 54 55 56 57 58 59 60