KEGG   DRUG: Caffeine and sodium benzoate
Entry
D02409            Mixture   Drug                                   
Name
Caffeine and sodium benzoate (JP18);
Sodium caffeine benzoate;
Annaca (TN)
Formula
C8H10N4O2. C7H5O2. Na
Exact mass
338.0991
Mol weight
338.2938
Structure
Simcomp
Component
Sodium benzoate [DR:D02277], Anhydrous caffeine [DR:D00528]
Remark
Same as: C13403
Therapeutic category: 2115
ATC code: V04CG30
Product: D02409<JP>
Efficacy
Stimulant (central)
Comment
Xanthine derivative
Interaction
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)
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

» Japanese version   » Back

  All links  
Ontology (4)   
   KEGG BRITE (4)   
Drug (1)   
   LigandBox (1)   
Chemical substance (3)   
   KEGG COMPOUND (1)   
   PubChem (1)   
   ChEBI (1)   
All databases (8)   

Download RDF
DBGET integrated database retrieval system