KEGG   DRUG: Sodium caprylate
Entry
D08999                      Drug                                   
Name
Sodium caprylate (NF)
Formula
C8H15O2. Na
Exact mass
166.0970
Mol weight
166.19
Structure
Simcomp
Efficacy
Pharmaceutic aid (stabilizing)
Other DBs
CAS: 1984-06-1
PubChem: 96025682
LigandBox: D08999
NIKKAJI: J43.159A
LinkDB
KCF data

ATOM        11
            1   C1b C    25.2700  -17.0800
            2   C6a C    26.3900  -16.4500
            3   C1b C    24.0800  -16.4500
            4   O6a O    27.6500  -17.0800 #-
            5   O6a O    26.3900  -15.0500
            6   C1b C    22.8200  -17.0800
            7   C1b C    21.6076  -16.3800
            8   C1b C    20.3951  -17.0800
            9   C1b C    19.1827  -16.3800
            10  C1a C    17.9703  -17.0800
            11  Z   Na   30.5900  -17.0800 #+
BOND        9
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     2   5 2
            5     3   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1

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