36M

propyl 4-hydroxybenzoate

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is present as a standalone ligand in 2 entries

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Chemical Component Summary
Name	propyl 4-hydroxybenzoate
Identifiers	propyl 4-oxidanylbenzoate
Formula	C₁₀ H₁₂ O₃
Molecular Weight	180.2
Type	NON-POLYMER
Isomeric SMILES	CCCOC(=O)c1ccc(cc1)O
InChI	InChI=1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3
InChIKey	QELSKZZBTMNZEB-UHFFFAOYSA-N

Chemical Details
Formal Charge	0
Atom Count	25
Chiral Atom Count	0
Bond Count	25
Aromatic Bond Count	6

Drug Info: DrugBank

DrugBank ID	DB14177
Name	Propylparaben
Groups	approved experimental
Description	Propylparaben is used in allergenic testing.
Synonyms	Propylparaben calcium 4-Hydroxybenzoic acid, propyl ester Propyl parahydroxybenzoate Propylparaben 4-Hydroxybenzoic acid propyl ester Propyl paraben p-Hydroxybenzoic propyl ester p-Hydroxybenzoic acid propyl ester Propyl p-hydroxybenzoate n-Propyl p-hydroxybenzoate Propylparaben sodium p-Oxybenzoesäurepropylester n-Propyl 4-hydroxybenzoate n-propyl paraben
Brand Names	T.R.U.E. Test Thin-Layer Rapid Use Patch Test
Indication	Propylparaben is used in allergenic testing.
Categories	Acids, Carbocyclic Benzene Derivatives Benzoates Cell-mediated Immunity Compounds used in a research, industrial, or household setting Hydroxy Acids Hydroxybenzoates Increased Histamine Release Pharmaceutic Aids Pharmaceutical Preparations Phenols Preservatives, Pharmaceutical Standardized Chemical Allergen
CAS number	94-13-3

Related Resource References

Resource Name	Reference
PubChem	7175
ChEMBL	CHEMBL194014
ChEBI	CHEBI:32063
CCDC/CSD	LATBAL, UXEQAR02, DUPKAB
COD	2224953

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.