| Entry |
|
|---|
| Name |
Dantrolene (USAN/INN) |
|---|
| Formula |
C14H10N4O5
|
|---|
| Exact mass |
314.0651
|
|---|
| Mol weight |
314.253
|
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| Structure |
|
|---|
| Simcomp |
|
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| Class |
Musculo-skeletal system agent
DG02029 Muscle relaxant
Metabolizing enzyme substrate
DG01891 CYP1A1 substrate
DG01892 CYP1A2 substrate
DG01633 CYP3A/CYP3A4 substrate
|
|---|
| Remark |
| Product (DG00778): | D02274<JP/US> |
|
|---|
| Efficacy |
Skeletal muscle relaxant |
|---|
| Metabolism |
|
|---|
| Interaction |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
M MUSCULO-SKELETAL SYSTEM
M03 MUSCLE RELAXANTS
M03C MUSCLE RELAXANTS, DIRECTLY ACTING AGENTS
M03CA Dantrolene and derivatives
M03CA01 Dantrolene
D02347 Dantrolene (USAN/INN)
Drug groups [BR:br08330]
Musculo-skeletal system agent
DG02029 Muscle relaxant
DG00778 Dantrolene
D02347 Dantrolene
Metabolizing enzyme substrate
DG01891 CYP1A1 substrate
DG00778 Dantrolene
D02347 Dantrolene
DG01892 CYP1A2 substrate
DG00778 Dantrolene
D02347 Dantrolene
DG01633 CYP3A/CYP3A4 substrate
DG00778 Dantrolene
D02347 Dantrolene
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D02347
Drug groups [BR:br08330]
Musculo-skeletal system agent
DG02029 Muscle relaxant
DG00778 Dantrolene
Metabolizing enzyme substrate
DG01891 CYP1A1 substrate
DG00778 Dantrolene
DG01892 CYP1A2 substrate
DG00778 Dantrolene
DG01633 CYP3A/CYP3A4 substrate
DG00778 Dantrolene
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 23
1 C8y C 15.5572 -14.7001
2 C8y C 14.3407 -14.0007
3 O2x O 16.6972 -13.8713
4 C8x C 15.9920 -16.0399
5 C8x C 13.1243 -14.7001
6 C8x C 14.3407 -12.5904
7 C8y C 17.8373 -14.7001
8 C8x C 17.4023 -16.0399
9 C8x C 11.9079 -14.0007
10 C8x C 13.1243 -11.8911
11 C2b C 19.0535 -14.0007
12 C8y C 11.9079 -12.5904
13 N2b N 20.2759 -14.7001
14 N2b N 10.6857 -11.8911 #+
15 N1y N 21.6330 -14.0007
16 O3a O 9.4224 -12.6842
17 O3a O 10.6915 -10.4808 #-
18 C1x C 22.7850 -14.5648
19 C5x C 21.6450 -12.5904
20 C5x C 23.7252 -13.5190
21 N1x N 23.0669 -12.3025
22 O5x O 20.6049 -11.9315
23 O5x O 25.0300 -13.5251
BOND 25
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 2
5 2 6 1
6 3 7 1
7 4 8 1
8 5 9 1
9 6 10 2
10 7 11 1
11 9 12 2
12 11 13 2
13 12 14 1
14 13 15 1
15 14 16 2
16 14 17 1
17 15 18 1
18 15 19 1
19 18 20 1
20 19 21 1
21 19 22 2
22 20 23 2
23 7 8 2
24 10 12 1
25 20 21 1
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