KEGG   DRUG: Butyl parahydroxybenzoate
Entry
D01420                      Drug                                   
Name
Butyl parahydroxybenzoate (JP18);
Butylparaben (NF);
Butyl parahydroxybenzoate (TN);
Butylparaben (TN)
Formula
C11H14O3
Exact mass
194.0943
Mol weight
194.23
Structure
Simcomp
Efficacy
Pharmaceutic aid (antifungal)
Structure map
map07110  Benzoic acid family
Brite
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01420  Butyl parahydroxybenzoate
Other DBs
CAS: 94-26-8
PubChem: 7848483
ChEBI: 88542
PDB-CCD: 27K[PDBj]
LigandBox: D01420
NIKKAJI: J2.842H
LinkDB
KCF data

ATOM        14
            1   C8x C    19.8100  -15.8200
            2   C8x C    19.8100  -17.2200
            3   C8y C    21.0000  -17.9200
            4   C8x C    22.2600  -17.2200
            5   C8x C    22.2600  -15.8200
            6   C8y C    21.0000  -15.1200
            7   C7a C    21.0000  -13.7200
            8   O1a O    21.0000  -19.3200
            9   O7a O    19.8100  -13.0200
            10  O6a O    22.1900  -13.0200
            11  C1b C    18.5500  -13.7200
            12  C1b C    17.3600  -13.0200
            13  C1b C    16.1700  -13.7200
            14  C1a C    14.9800  -13.0200
BOND        14
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     6   7 1
            8     3   8 1
            9     7   9 1
            10    7  10 2
            11    9  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1

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