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102-14-7 | Butanoic acid, 4-oxo-4-(phenylamino)-
CAS No: 102-14-7 Catalog No: AG000681 MDL No:MFCD00029825
Product Description
Catalog Number:
AG000681
Chemical Name:
Butanoic acid, 4-oxo-4-(phenylamino)-
CAS Number:
102-14-7
Molecular Formula:
C10H11NO3
Molecular Weight:
193.1992
MDL Number:
MFCD00029825
IUPAC Name:
4-anilino-4-oxobutanoic acid
InChI:
InChI=1S/C10H11NO3/c12-9(6-7-10(13)14)11-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)(H,13,14)
InChI Key:
KTFGFGGLCMGYTP-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1)CCC(=O)O
UNII:
L4V0G8222E
NSC Number:
56471
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
193.202g/mol
Monoisotopic Mass:
193.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| N-Phenyl-succinamic acid. | Acta crystallographica. Section E, Structure reports online 20110201 |
| Interpreting clinical assays for histone deacetylase inhibitors. | Cancer management and research 20110101 |
| Targeting histone deacetyalses in the treatment of B- and T-cell malignancies. | Investigational new drugs 20101201 |
| Derivatives of aryl amines containing the cytotoxic 1,4-dioxo-2-butenyl pharmacophore. | Bioorganic & medicinal chemistry letters 20100301 |
| Stability studies of vorinostat and its two metabolites in human plasma, serum and urine. | Journal of pharmaceutical and biomedical analysis 20061116 |
| A liquid chromatography-electrospray ionization tandem mass spectrometric assay for quantitation of the histone deacetylase inhibitor, vorinostat (suberoylanilide hydroxamicacid, SAHA), and its metabolites in human serum. | Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20060818 |
| High turbulence liquid chromatography online extraction and tandem mass spectrometry for the simultaneous determination of suberoylanilide hydroxamic acid and its two metabolites in human serum. | Rapid communications in mass spectrometry : RCM 20050101 |
| Rational design of an indolebutanoic acid derivative as a novel aldose reductase inhibitor based on docking and 3D QSAR studies of phenethylamine derivatives. | Journal of medicinal chemistry 20031218 |
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