| Entry |
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| Name |
Methylene blue (USP);
Methylthioninium chloride
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| Product |
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| Other |
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| Formula |
C16H18N3S. 3H2O. Cl
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| Exact mass |
373.1227
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| Mol weight |
373.8981
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| Structure |
     |
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| Activity |
Antimethemoglobinemic;
Antidote [to cyanide poisoning]
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| Remark |
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| Structure map |
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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
D02312 Methylene blue (USP)
V04 DIAGNOSTIC AGENTS
V04C OTHER DIAGNOSTIC AGENTS
V04CG Tests for gastric secretion
V04CG05 Methylthioninium chloride
D02312 Methylene blue (USP)
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| Other DBs |
CAS: 7220-79-3 PubChem: LigandBox: NIKKAJI: |
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| KCF data |
ATOM 24
1 C8y C 21.0700 -14.3500
2 C8y C 21.0700 -15.7500
3 S2x S 22.2824 -16.4500 #+
4 C8y C 23.4949 -15.7500
5 C8y C 23.4949 -14.3500
6 N5x N 22.2824 -13.6500
7 C8x C 24.7073 -16.4500
8 C8y C 25.9197 -15.7500
9 C8x C 25.9197 -14.3500
10 C8x C 24.7073 -13.6500
11 C8x C 19.8576 -13.6500
12 C8x C 18.6451 -14.3500
13 C8y C 18.6451 -15.7500
14 C8x C 19.8576 -16.4500
15 N1c N 27.1173 -16.4415
16 C1a C 28.3056 -15.7555
17 C1a C 27.1174 -17.8497
18 N1c N 17.4140 -16.4610
19 C1a C 16.2088 -15.7653
20 C1a C 17.4143 -17.8499
21 X Cl 22.3300 -18.0600 #-
22 O0 O 33.7400 -16.1700
23 O0 O 33.7400 -16.1700
24 O0 O 33.7400 -16.1700
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 -16.8700 31.7800 -15.1900
1 34.3700 -15.1900 34.3700 -16.8700
1 3
ORIGINAL 1 22
REPEAT 1 23 24
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