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1553-60-2,MFCD00864374
Catalog No.:AA001NQI

1553-60-2 | Ibufenac

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
98%
in stock  
$19.00   $14.00
- +
250mg
98%
in stock  
$26.00   $18.00
- +
1g
98%
in stock  
$56.00   $39.00
- +
5g
98%
in stock  
$217.00   $152.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA001NQI
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
Properties
Properties
 
BP:
312.2°C at 760 mmHg  
Form:
Solid  
MP:
85-87°C  
Refractive Index:
1.5100 (estimate)  
Storage:
Keep in dry area;-20 ℃;  

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

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

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

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

Journal: PLoS computational biology 20111201

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

Journal: Drug metabolism and disposition: the biological fate of chemicals 20101201

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

Journal: Bioorganic & medicinal chemistry letters 20101101

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

Journal: Xenobiotica; the fate of foreign compounds in biological systems 20100101

Title: A systematic review of NSAIDs withdrawn from the market due to hepatotoxicity: lessons learned from the bromfenac experience.

Journal: Pharmacoepidemiology and drug safety 20060401

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

Journal: Journal of medicinal chemistry 20011220

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SDS
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