KEGG   DRUG: Sodium dehydroacetate
Entry
D05856                      Drug                                   
Name
Sodium dehydroacetate (NF)
Formula
C8H7O4. Na
Exact mass
190.0242
Mol weight
190.1285
Structure
Efficacy
Pharmaceutic aid (antimicrobial preservative)
Brite
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Sodium dehydroacetate
    D05856  Sodium dehydroacetate (NF)
Other DBs
CAS: 4418-26-2
PubChem: 47207517
NIKKAJI: J342.363H J352.907J J911C
KCF data

ATOM        13
            1   C5x C    31.1972  -19.9833
            2   C1y C    31.1972  -18.5805 #-
            3   C7x C    32.3896  -17.8791
            4   O7x O    33.6521  -18.5805
            5   C2y C    33.6521  -19.9833
            6   C2x C    32.3896  -20.6847
            7   O6a O    32.3896  -16.4763
            8   C5a C    30.0048  -17.8791
            9   C1a C    28.8124  -18.5805
            10  O5a O    30.0048  -16.4763
            11  O5x O    30.0048  -20.6847
            12  C1a C    34.8445  -20.6847
            13  Z   Na   36.5400  -18.3400 #+
BOND        12
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     3   7 2
            8     2   8 1
            9     8   9 1
            10    8  10 2
            11    1  11 2
            12    5  12 1

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Ontology (1)   
   KEGG BRITE (1)   
Chemical substance (5)   
   PubChem (1)   
   HSDB (1)   
   NIKKAJI (3)   
All databases (6)   

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