Home Aminos 4(3H)-Quinazolinone, 6-amino-2-(fluoromethyl)-3-(2-methylphenyl)-

4(3H)-Quinazolinone, 6-amino-2-(fluoromethyl)-3-(2-methylphenyl)-

CAS No.:
56287-74-2
Catalog Number:
AG00IA22
Molecular Formula:
C16H14FN3O
Molecular Weight:
283.3003
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
98%(HPLC)
In Stock USA
United States
$154
- +
1g
98%(HPLC)
In Stock USA
United States
$619
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Product Description
Catalog Number:
AG00IA22
Chemical Name:
4(3H)-Quinazolinone, 6-amino-2-(fluoromethyl)-3-(2-methylphenyl)-
CAS Number:
56287-74-2
Molecular Formula:
C16H14FN3O
Molecular Weight:
283.3003
MDL Number:
MFCD00867693
IUPAC Name:
6-amino-2-(fluoromethyl)-3-(2-methylphenyl)quinazolin-4-one
InChI:
InChI=1S/C16H14FN3O/c1-10-4-2-3-5-14(10)20-15(9-17)19-13-7-6-11(18)8-12(13)16(20)21/h2-8H,9,18H2,1H3
InChI Key:
VDOSWXIDETXFET-UHFFFAOYSA-N
SMILES:
FCc1nc2ccc(cc2c(=O)n1c1ccccc1C)N
UNII:
CO4U2C8ORZ
Properties
Complexity:
439  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.112g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
283.306g/mol
Monoisotopic Mass:
283.112g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
Oral muscle relaxant may induce immediate allergic reactions. Yonsei medical journal 20120701
[Survey of the current conditions in acute poisoning due to antispasmodic agents--special reference to eperisone hydrochloride and afloqualone]. Chudoku kenkyu : Chudoku Kenkyukai jun kikanshi = The Japanese journal of toxicology 20110901
Methyl 2-[2-(benzyl-oxycarbonyl-amino)-propan-2-yl]-5-hy-droxy-6-meth-oxy-pyrimidine-4-carboxyl-ate. Acta crystallographica. Section E, Structure reports online 20110201
Development of a list of potentially inappropriate drugs for the korean elderly using the delphi method. Healthcare informatics research 20101201
Exodeviated ophthalmoplegia in a patient with progressive supranuclear palsy. Journal of Korean medical science 20091001
Comparison between open procedure and tubular retractor assisted procedure for cervical radiculopathy: results of a randomized controlled study. Journal of Korean medical science 20090801
Induction of eosinophil-infiltrating drug photoallergy in mice. Journal of dermatological science 20090701
Evaluation of photoallergic potential of chemicals using THP-1 cells. Journal of dermatological science 20081101
Determination of afloqualone in human plasma using liquid chromatography/tandem mass spectrometry: Application to pharmacokinetic studies in humans. Talanta 20071015
Characterization of afloqualone N-glucuronidation: species differences and identification of human UDP-glucuronosyltransferase isoform(s). Drug metabolism and disposition: the biological fate of chemicals 20050101
Properties