| Entry |
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| Name |
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| Formula |
C8H10N4O2. C7H5O2. Na
|
|---|
| Exact mass |
338.0991
|
|---|
| Mol weight |
338.2938
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| Structure |
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| Remark |
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
V VARIOUS
V04 DIAGNOSTIC AGENTS
V04C OTHER DIAGNOSTIC AGENTS
V04CG Tests for gastric secretion
V04CG30 Caffeine and sodium benzoate
D02409 Caffeine and sodium benzoate (JP18) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
2 Agents affecting individual organs
21 Cardiovascular agents
211 Cardiotonics
2115 Caffeines
D02409 Caffeine and sodium benzoate (JP18)
Risk category of Japanese OTC drugs [BR:br08312]
Third-class OTC drugs
Inorganic and organic chemicals
Caffeine and sodium benzoate
D02409 Caffeine and sodium benzoate (JP18)
Animal drugs in Japan [BR:br08331]
92 Agents affecting circulatory organs, respiratory organs and urinary organs
921 Cardiotonics
9212 Caffeine, prine, derivatives and preparations
C13403 Sodium caffeine benzoate
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
Chemicals
D02409 Caffeine and sodium benzoate
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 24
1 C8y C 16.2400 -16.0300
2 C8y C 16.2400 -17.5000
3 C8y C 17.5000 -15.3300
4 N4y N 14.9800 -15.6100
5 N4y N 17.5000 -18.1300
6 N5x N 14.9800 -17.9200
7 N4y N 18.6900 -16.1000
8 O5x O 17.5000 -13.9300
9 C8x C 14.1400 -16.8000
10 C1a C 14.3500 -14.3500
11 C8y C 18.6900 -17.4300
12 C1a C 17.5000 -19.6000
13 C1a C 19.9500 -15.2600
14 O5x O 19.9500 -18.0600
15 C8y C 24.9200 -16.5900
16 C8x C 26.1800 -17.2900
17 C8x C 23.7300 -17.2900
18 C6a C 24.9200 -15.3300
19 C8x C 26.1800 -18.6900
20 C8x C 23.7300 -18.6900
21 O6a O 23.7300 -14.6300
22 O6a O 26.1800 -14.6300 #-
23 C8x C 24.9200 -19.3900
24 Z Na 27.8600 -14.6300 #+
BOND 24
1 4 9 1
2 4 10 1
3 5 11 1
4 5 12 1
5 7 13 1
6 11 14 2
7 6 9 2
8 7 11 1
9 1 2 2
10 1 3 1
11 1 4 1
12 2 5 1
13 2 6 1
14 3 7 1
15 3 8 2
16 15 16 2
17 15 17 1
18 15 18 1
19 16 19 1
20 17 20 2
21 18 21 2
22 18 22 1
23 19 23 2
24 20 23 1
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