KEGG   DRUG: Propyl parahydroxybenzoate
Entry
D01422                      Drug                                   
Name
Propyl parahydroxybenzoate (JP18);
Propylparaben (NF);
Propyl parahydroxybenzoate (TN)
Formula
C10H12O3
Exact mass
180.0786
Mol weight
180.2005
Structure
Simcomp
Remark
Chemical structure group: DG02873
Product (mixture): D05354<JP>
Efficacy
Pharmaceutic aid (antifungal)
Comment
Component of Absorptive ointment [DR:D05354]
Structure map
map07110  Benzoic acid family
Brite
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01422  Propyl parahydroxybenzoate
Other DBs
CAS: 94-13-3
PubChem: 7848485
ChEBI: 32063
PDB-CCD: 36M[PDBj]
LigandBox: D01422
NIKKAJI: J3.943H
KCF data

ATOM        13
            1   C8x C    28.3353  -18.0778
            2   C8x C    28.3353  -19.4957
            3   C8y C    27.1044  -20.2046
            4   C8x C    25.8807  -19.4957
            5   C8x C    25.8807  -18.0778
            6   C8y C    27.1044  -17.3688
            7   O1a O    27.1180  -21.6225
            8   C7a C    27.1180  -15.9509
            9   O7a O    25.8934  -15.2347
            10  C1b C    24.7476  -15.9294
            11  O6a O    28.3497  -15.2419
            12  C1b C    23.5875  -15.2562
            13  C1a C    22.4273  -15.9222
BOND        13
            1     1   2 1
            2     3   7 1
            3     2   3 2
            4     3   4 1
            5     6   8 1
            6     4   5 2
            7     8   9 1
            8     5   6 1
            9     9  10 1
            10    6   1 2
            11    8  11 2
            12   10  12 1
            13   12  13 1

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