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)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
Chemicals
D02409 Caffeine and sodium benzoate
Other DBs
CAS:
8000-95-1
PubChem:
7849467
ChEBI:
32140
LigandBox:
D02409
KCF data
ATOM 24
1 C8y C 12.4206 -15.5533
2 C8y C 12.4206 -16.9798
3 C8y C 13.6250 -14.8457
4 N4y N 11.1167 -15.1205
5 N4y N 13.6250 -17.6640
6 N5x N 11.1167 -17.4125
7 N4y N 14.8470 -15.5824
8 O5x O 13.6250 -13.4659
9 C8x C 10.2983 -16.2781
10 C1a C 10.4972 -13.8399
11 C8y C 14.8470 -16.9272
12 C1a C 13.6250 -19.0964
13 C1a C 16.1158 -14.7584
14 O5x O 16.0982 -17.5821
15 C8y C 21.0984 -16.0877
16 C8x C 22.3049 -16.7871
17 C8x C 19.8802 -16.7871
18 C6a C 21.1042 -14.8289
19 C8x C 22.3049 -18.1860
20 C8x C 19.8802 -18.1860
21 O6a O 19.8860 -14.1179
22 O6a O 22.3106 -14.1239 #-
23 C8x C 21.0984 -18.8912
24 Z Na 23.9883 -14.1428 #+
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