KEGG   DRUG: Ethylparaben sodium
Entry
D10929                      Drug                                   
Name
Ethylparaben sodium (NF)
Formula
C9H9O3. Na
Exact mass
188.0449
Mol weight
188.16
Structure
Simcomp
Efficacy
Pharmaceutic aid (antifungal preservative)
Other DBs
CAS: 35285-68-8
PubChem: 342581786
LinkDB
KCF data

ATOM        13
            1   C8x C    18.6395  -15.8561
            2   C8x C    18.6395  -17.2597
            3   C8y C    19.8551  -17.9616
            4   C8x C    21.0708  -17.2597
            5   C8x C    21.0708  -15.8561
            6   C8y C    19.8551  -15.1542
            7   C7a C    19.8551  -13.7507
            8   O1a O    19.8551  -19.3651 #-
            9   O7a O    18.6227  -13.0390
            10  O6a O    21.0538  -13.0585
            11  C1b C    17.4155  -13.7359
            12  C1a C    16.2295  -13.0510
            13  Z   Na   16.8700  -19.3900 #+
BOND        12
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     6   7 1
            8     3   8 1
            9     7   9 1
            10    7  10 2
            11    9  11 1
            12   11  12 1

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