| | COMPOUND: C07141 | |
Entry |
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Name |
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Formula |
C13H24N4O3S
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Exact mass |
316.1569
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Mol weight |
316.4197
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Structure |
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Remark |
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Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
C CARDIOVASCULAR SYSTEM
C07 BETA BLOCKING AGENTS
C07A BETA BLOCKING AGENTS
C07AA Beta blocking agents, non-selective
C07AA06 Timolol
D08600 Timolol (INN)
S SENSORY ORGANS
S01 OPHTHALMOLOGICALS
S01E ANTIGLAUCOMA PREPARATIONS AND MIOTICS
S01ED Beta blocking agents
S01ED01 Timolol
D08600 Timolol (INN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01466 Adrenergic receptor antagonist
DG01464 beta-Adrenergic receptor antagonist (Beta blocker)
DG00306 Timolol
D08600 Timolol
Ophthalmic agent
DG03201 Intraocular pressure lowering agent
DG00306 Timolol
D08600 Timolol
Metabolizing enzyme substrate
DG01644 CYP2D6 substrate
DG00306 Timolol
D08600 Timolol
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adrenaline
ADRB1
D08600 Timolol (INN)
ADRB2
D08600 Timolol (INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D08600
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Other DBs |
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KCF data |
ATOM 21
1 C8y C 7.1400 -9.9400
2 C8y C 8.5400 -9.9400
3 N5x N 8.9726 -8.6085
4 S2x S 7.8400 -7.7856
5 N5x N 6.7074 -8.6085
6 N1y N 6.3171 -11.0726
7 O2a O 9.3629 -11.0726
8 C1b C 10.7734 -11.0645
9 C1c C 11.4801 -12.2724
10 C1x C 4.9171 -11.0726
11 C1x C 4.2171 -12.2851
12 O2x O 4.9171 -13.4975
13 C1x C 6.3171 -13.4975
14 C1x C 7.0171 -12.2851
15 C1b C 12.8799 -12.2643
16 N1b N 13.5807 -13.4620
17 C1d C 14.9799 -13.4539
18 O1a O 10.7966 -13.4719
19 C1a C 16.3799 -13.4539
20 C1a C 14.9758 -12.0400
21 C1a C 14.9840 -14.8400
BOND 22
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 1
5 1 5 2
6 1 6 1
7 2 7 1
8 7 8 1
9 8 9 1
10 6 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 6 14 1
16 9 15 1
17 15 16 1
18 16 17 1
19 9 18 1 #Down
20 17 19 1
21 17 20 1
22 17 21 1
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