MPB

4-HYDROXY-BENZOIC ACID METHYL ESTER

Created:	1999-07-08
Last modified:	2011-06-04

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7 entries where MPB is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	0
Bond Count	19
Aromatic Bond Count	6

2D diagram of MPB

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Chemical Component Summary
Name	4-HYDROXY-BENZOIC ACID METHYL ESTER
Systematic Name (OpenEye OEToolkits)	methyl 4-hydroxybenzoate
Formula	C₈ H₈ O₃
Molecular Weight	152.147
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(OC)c1ccc(O)cc1
SMILES	CACTVS	3.341	COC(=O)c1ccc(O)cc1
SMILES	OpenEye OEToolkits	1.5.0	COC(=O)c1ccc(cc1)O
Canonical SMILES	CACTVS	3.341	COC(=O)c1ccc(O)cc1
Canonical SMILES	OpenEye OEToolkits	1.5.0	COC(=O)c1ccc(cc1)O
InChI	InChI	1.03	InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3
InChIKey	InChI	1.03	LXCFILQKKLGQFO-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB14212
Name	Methylparaben
Groups	approved
Description	Methylparaben is used in allergenic testing.
Synonyms	Methyl 4-hydroxybenzoate Methyl paraben p-Oxybenzoesauremethylester p-Methoxycarbonylphenol methyl p-hydroxybenzoate Methylparaben p-Hydroxybenzoic acid methyl ester Methylparaben sodium
Brand Names	isLeaf Tattoo Eyebrow Brown isLeaf Long Lasting Waterproof Eyeliner Black isLeaf Long Lasting Waterproof Eyeliner Brown T.R.U.E. Test Thin-Layer Rapid Use Patch Test
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	99-76-3

Related Resource References

Resource Name	Reference
Pharos	CHEMBL325372
PubChem	7456
ChEMBL	CHEMBL325372
ChEBI	CHEBI:31835
CCDC/CSD	CEBGOF01, YACQUR01, LASZUC, CEBGOF06, YUYFUU, CEBGOF02, CEBGOF04, YACQUR, CEBGOF05, CEBGOF, KAXSUZ, UXEPUK02, WUVKEE, CEBGOF03, XATQES, HEDYAU
COD	4508638, 4507504, 2218645, 4507506, 4507505, 4500726

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.