KEGG   DRUG: Sodium benzoate
Entry
D02277                      Drug                                   
Name
Sodium benzoate (JP18/NF);
Sodium benzoate (TN)
Formula
C7H5O2. Na
Exact mass
144.0187
Mol weight
144.1032
Structure
Simcomp
Remark
Therapeutic category: 7190
ATC code: A16AX11
Product: D02277<JP>
Product (mixture): D02409<JP> D10205<US>
Efficacy
Antihyperammonemic, Pharmaceutic aid (antifungal)
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A16 OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
   A16A OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
    A16AX Various alimentary tract and metabolism products
     A16AX11 Sodium benzoate
      D02277  Sodium benzoate (JP18/NF) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 7  Agents not mainly for therapeutic purpose
  71  Dispensing medicines
   719  Miscellaneous
    7190  Miscellaneous
     D02277  Sodium benzoate (JP18/NF)
Risk category of Japanese OTC drugs [BR:br08312]
 Designated second-class OTC drugs
  Inorganic and organic chemicals
   Benzoic acid
    D02277  Sodium benzoate (JP18/NF)
 Second-class OTC drugs
  Inorganic and organic chemicals
   Benzoic acid
    D02277  Sodium benzoate (JP18/NF)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D02277  Sodium benzoate
Other DBs
CAS: 532-32-1
PubChem: 7849336
ChEBI: 113455
LigandBox: D02277
NIKKAJI: J3.287E
KCF data

ATOM        10
            1   C8y C    27.6407  -17.7513
            2   C8x C    28.8535  -18.4510
            3   C8x C    26.4279  -18.4510
            4   C6a C    27.6407  -16.3519
            5   C8x C    28.8535  -19.8505
            6   C8x C    26.4279  -19.8505
            7   O6a O    26.4745  -15.6522 #-
            8   O6a O    28.8535  -15.6522
            9   C8x C    27.6407  -20.5502
            10  Z   Na   23.9400  -15.6100 #+
BOND        9
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 2
            6     4   7 1
            7     4   8 2
            8     5   9 2
            9     6   9 1

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