| Entry |
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| Name |
Methylthioninium chloride hydrate (JAN);
Methylene blue (TN) |
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| Formula |
C16H18N3S. Cl. xH2O
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| Structure |
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| Simcomp |
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| Class |
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| Remark |
| Therapeutic category: | 3929 |
| Product (DG01156): | D02312<US> D10537<JP> |
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| Efficacy |
Antimethemoglobinemic |
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| Interaction |
CYP inhibition: CYP1A2 [HSA: 1544], CYP2B6 [HSA: 1555], CYP2C9 [HSA: 1559], CYP2C19 [HSA: 1557]
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
V VARIOUS
V03 ALL OTHER THERAPEUTIC PRODUCTS
V03A ALL OTHER THERAPEUTIC PRODUCTS
V03AB Antidotes
V03AB17 Methylthioninium chloride
D10537 Methylthioninium chloride hydrate (JAN) <JP>
V04 DIAGNOSTIC AGENTS
V04C OTHER DIAGNOSTIC AGENTS
V04CG Tests for gastric secretion
V04CG05 Methylthioninium chloride
D10537 Methylthioninium chloride hydrate (JAN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
3 Agents affecting metabolism
39 Other agents affecting metabolism
392 Antidotes
3929 Others
D10537 Methylthioninium chloride hydrate (JAN)
Drug groups [BR:br08330]
Metabolizing enzyme inhibitor
DG01634 CYP1A2 inhibitor
DG01156 Methylthioninium chloride
D10537 Methylthioninium chloride hydrate
DG02892 CYP2B6 inhibitor
DG01156 Methylthioninium chloride
D10537 Methylthioninium chloride hydrate
DG01643 CYP2C9 inhibitor
DG01156 Methylthioninium chloride
D10537 Methylthioninium chloride hydrate
DG01933 CYP2C19 inhibitor
DG01156 Methylthioninium chloride
D10537 Methylthioninium chloride hydrate
New drug approvals in Japan [br08318.html]
Drugs with new active ingredients
D10537
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D10537
Drug groups [BR:br08330]
Metabolizing enzyme inhibitor
DG01634 CYP1A2 inhibitor
DG01156 Methylthioninium chloride
DG02892 CYP2B6 inhibitor
DG01156 Methylthioninium chloride
DG01643 CYP2C9 inhibitor
DG01156 Methylthioninium chloride
DG01933 CYP2C19 inhibitor
DG01156 Methylthioninium chloride
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| Other DBs |
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| KCF data |
ATOM 22
1 C8y C 19.8100 -15.2600
2 C8y C 19.8100 -16.6600
3 S2x S 21.0000 -17.3600 #+
4 C8y C 22.2600 -16.6600
5 C8y C 22.2600 -15.2600
6 N5x N 21.0000 -14.5600
7 C8x C 23.4500 -17.3600
8 C8y C 24.6400 -16.6600
9 C8x C 24.6400 -15.2600
10 C8x C 23.4500 -14.5600
11 C8x C 18.6200 -14.5600
12 C8x C 17.3600 -15.2600
13 C8y C 17.3600 -16.6600
14 C8x C 18.6200 -17.3600
15 N1c N 25.8300 -17.3600
16 C1a C 27.0200 -16.6600
17 C1a C 25.8300 -18.7600
18 N1c N 16.1700 -17.3600
19 C1a C 14.9800 -16.6600
20 C1a C 16.1700 -18.7600
21 X Cl 21.0700 -18.9700 #-
22 O0 O 33.8800 -18.0600
BOND 22
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 5 10 1
12 1 11 1
13 11 12 2
14 12 13 1
15 13 14 2
16 2 14 1
17 8 15 1
18 15 16 1
19 15 17 1
20 13 18 1
21 18 19 1
22 18 20 1
BRACKET 1 31.7800 -18.8300 31.7800 -16.9400
1 34.5100 -16.9400 34.5100 -18.8300
1 x
ORIGINAL 1 22
REPEAT 1
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