27115-49-7 | 3-Methylhippuric acid

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$11.00	$8.00
5g	98%	in stock	$28.00	$19.00
25g	98%	in stock	$103.00	$72.00

Description

• Catalog Number: AB65381
• Chemical Name: 3-Methylhippuric acid
• CAS Number: 27115-49-7
• Molecular Formula: C10H11NO3
• Molecular Weight: 193.1992
• MDL Number: MFCD00044399
• SMILES: OC(=O)CNC(=O)c1cccc(c1)C
• NSC Number: 201735

Computed Properties

• Complexity: 227
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 2
• Rotatable Bond Count: 3
• XLogP3: 1.6

Literature

• Reconstruction of Exposure to m-Xylene from Human Biomonitoring Data Using PBPK Modelling, Bayesian Inference, and Markov Chain Monte Carlo Simulation.

  Journal of toxicology 20120101

• A Workflow for Global Sensitivity Analysis of PBPK Models.

  Frontiers in pharmacology 20110101

• Substituted hippurates and hippurate analogs as substrates and inhibitors of peptidylglycine alpha-hydroxylating monooxygenase (PHM).

  Bioorganic & medicinal chemistry 20081201

• Sex differences in the toxicokinetics of inhaled solvent vaporsin humans 1. m-Xylene.

  Toxicology and applied pharmacology 20031201

• Event-related potentials in medical workers with long-term exposure to xylene.

  Collegium antropologicum 20010601

• Modified method for determination of hippuric acid and methylhippuric acid in urine by gas chromatography.

  Journal of chromatography. B, Biomedical sciences and applications 20010210