KEGG   DRUG: Methylparaben sodium
Entry
D02458                      Drug                                   
Name
Methylparaben sodium (NF)
Formula
C8H7O3. Na
Exact mass
174.0293
Mol weight
174.1291
Structure
Simcomp
Remark
Chemical structure group: DG02872
Efficacy
Pharmaceutic aid (antimicrobial preservative)
Structure map
map07110  Benzoic acid family
Other DBs
CAS: 5026-62-0
PubChem: 7849515
LigandBox: D02458
NIKKAJI: J181.454K
LinkDB
KCF data

ATOM        12
            1   C8y C    26.4290  -18.0086
            2   C7a C    26.4290  -16.6091
            3   C8x C    25.2160  -18.7084
            4   C8x C    27.6419  -18.7084
            5   O7a O    25.2160  -15.9094
            6   O6a O    27.6419  -15.9094
            7   C8x C    25.2160  -20.1079
            8   C8x C    27.6419  -20.1079
            9   C8y C    26.4290  -20.8076
            10  O1a O    26.4290  -22.2071 #-
            11  C1a C    24.0032  -16.6091
            12  Z   Na   23.7712  -22.2283 #+
BOND        11
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 2
            7     4   8 1
            8     7   9 1
            9     9  10 1
            10    8   9 2
            11    5  11 1

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