Entry |
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Name |
Methylene blue;
Methylthioninium chloride
|
Formula |
C16H18N3S. Cl
|
Exact mass |
319.0910
|
Mol weight |
319.85
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Structure |

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Remark |
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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
C00220 Methylene blue
V04 DIAGNOSTIC AGENTS
V04C OTHER DIAGNOSTIC AGENTS
V04CG Tests for gastric secretion
V04CG05 Methylthioninium chloride
C00220 Methylene blue
Drug groups [BR:br08330]
Metabolizing enzyme inhibitor
DG01634 CYP1A2 inhibitor
DG01156 Methylthioninium chloride
C00220 Methylene blue
DG02892 CYP2B6 inhibitor
DG01156 Methylthioninium chloride
C00220 Methylene blue
DG01643 CYP2C9 inhibitor
DG01156 Methylthioninium chloride
C00220 Methylene blue
DG01933 CYP2C19 inhibitor
DG01156 Methylthioninium chloride
C00220 Methylene blue
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Other DBs |
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LinkDB |
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KCF data |
ATOM 21
1 C8y C 20.8893 -15.3533
2 C8y C 20.8893 -13.9651
3 S2x S 22.0967 -16.2165 #+
4 C8x C 19.6878 -16.0533
5 N5x N 22.0967 -13.2535
6 C8x C 19.6878 -13.2769
7 C8y C 23.3157 -15.3591
8 C8y C 18.4978 -15.3533
9 C8y C 23.3098 -13.9594
10 C8x C 18.4978 -13.9651
11 C8x C 24.5405 -16.0533
12 N1c N 17.3021 -16.0357
13 C8x C 24.5172 -13.2361
14 C8y C 25.7655 -15.3474
15 C1a C 16.1181 -15.3358
16 C1a C 17.2964 -17.4122
17 C8x C 25.7479 -13.9301
18 N1c N 26.9612 -16.0299
19 C1a C 26.9670 -17.4006
20 C1a C 28.1452 -15.3242
21 X Cl 22.1900 -17.8263 #-
BOND 22
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 4 8 2
8 5 9 1
9 6 10 2
10 7 11 1
11 8 12 1
12 9 13 1
13 11 14 2
14 12 15 1
15 12 16 1
16 13 17 2
17 14 18 1
18 18 19 1
19 18 20 1
20 7 9 2
21 8 10 1
22 14 17 1
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