1553-60-2 | Ibufenac

Packsize	Purity	Availability	Price	Discounted Price
100mg	98%	in stock	$21.00	$15.00
250mg	98%	in stock	$26.00	$18.00
1g	98%	in stock	$47.00	$33.00
5g	98%	in stock	$158.00	$111.00

Description

• Catalog Number: AA77318
• Chemical Name: Ibufenac
• CAS Number: 1553-60-2
• Molecular Formula: C12H16O2
• Molecular Weight: 192.2542
• MDL Number: MFCD00864374
• SMILES: CC(Cc1ccc(cc1)CC(=O)O)C
• NSC Number: 99976

Computed Properties

• Complexity: 179
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 4
• XLogP3: 3.1

Literature

• Toxicological evaluation of acyl glucuronides utilizing half-lives, peptide adducts, and immunostimulation assays.

  Toxicology in vitro : an international journal published in association with BIBRA 20151225

• Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).

  PLoS computational biology 20111201

• A predictive ligand-based Bayesian model for human drug-induced liver injury.

  Drug metabolism and disposition: the biological fate of chemicals 20101201

• Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

  Bioorganic & medicinal chemistry letters 20101101

• Integrated HPLC-MS and (1)H-NMR spectroscopic studies on acyl migration reaction kinetics of model drug ester glucuronides.

  Xenobiotica; the fate of foreign compounds in biological systems 20100101

• A systematic review of NSAIDs withdrawn from the market due to hepatotoxicity: lessons learned from the bromfenac experience.

  Pharmacoepidemiology and drug safety 20060401

• Design and synthesis of non-peptidic inhibitors for the Syk C-terminal SH2 domain based on structure-based in-silico screening.

  Journal of medicinal chemistry 20011220