KEGG   DRUG: Sodium phenylacetate
Entry
D05867                      Drug                                   
Name
Sodium phenylacetate (JAN/USAN)
Formula
C8H7O2. Na
Exact mass
158.0344
Mol weight
158.1297
Structure
Simcomp
Remark
Product (mixture): D10205<US>
Efficacy
Antihyperammonemic
Comment
Component of Ammonul (TN)
Other DBs
CAS: 114-70-5
PubChem: 47207528
LigandBox: D05867
NIKKAJI: J27.641C
LinkDB
KCF data

ATOM        11
            1   C8y C    24.0863  -20.4399
            2   C8x C    22.8686  -21.1390
            3   C8x C    25.2980  -21.1390
            4   C1b C    24.0863  -19.0416
            5   C8x C    22.8686  -22.5372
            6   C8x C    25.2980  -22.5372
            7   C6a C    25.3039  -18.3368
            8   C8x C    24.0863  -23.2421
            9   O6a O    25.3039  -16.9443
            10  O6a O    26.5099  -19.0359 #-
            11  Z   Na   27.2298  -16.9399 #+
BOND        10
            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     5   8 2
            8     7   9 2
            9     7  10 1
            10    6   8 1

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