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15988-11-1 | 1,2,4-Triazolidine-3,5-dione, 4-phenyl-
CAS No: 15988-11-1 Catalog No: AG001RHX MDL No:MFCD00005226
Product Description
Catalog Number:
AG001RHX
Chemical Name:
1,2,4-Triazolidine-3,5-dione, 4-phenyl-
CAS Number:
15988-11-1
Molecular Formula:
C8H7N3O2
Molecular Weight:
177.1601
MDL Number:
MFCD00005226
IUPAC Name:
4-phenyl-1,2,4-triazolidine-3,5-dione
InChI:
InChI=1S/C8H7N3O2/c12-7-9-10-8(13)11(7)6-4-2-1-3-5-6/h1-5H,(H,9,12)(H,10,13)
InChI Key:
GOSUFRDROXZXLN-UHFFFAOYSA-N
SMILES:
O=c1[nH][nH]c(=O)n1c1ccccc1
EC Number:
240-127-0
UNII:
9V4N9J1BIH
NSC Number:
93432
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.054g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
177.163g/mol
Monoisotopic Mass:
177.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
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| Plasma appearance and disappearance of an oral dose of 25-hydroxyvitamin D2 in healthy adults. | The British journal of nutrition 20120428 |
| Diels-Alder derivatization for sensitive detection and characterization of conjugated linoleic acids using LC/ESI-MS/MS. | Analytical and bioanalytical chemistry 20120401 |
| Vitamin D receptor deficiency and low vitamin D diet stimulate aortic calcification and osteogenic key factor expression in mice. | PloS one 20120101 |
| Quantification of 1α,25-dihydroxy vitamin D by immunoextraction and liquid chromatography-tandem mass spectrometry. | Clinical chemistry 20110901 |
| A specific LC/ESI-MS/MS method for determination of 25-hydroxyvitamin D3 in neonatal dried blood spots containing a potential interfering metabolite, 3-epi-25-hydroxyvitamin D3. | Journal of separation science 20110401 |
| Quantitative determination of vitamin D metabolites in plasma using UHPLC-MS/MS. | Analytical and bioanalytical chemistry 20100901 |
| [4+2] cycloaddition reactions between 1,8-disubstituted cyclooctatetraenes and diazo dienophiles: stereoelectronic effects, anticancer properties and application to the synthesis of 7,8-substituted bicyclo[4.2.0]octa-2,4-dienes. | Chemistry (Weinheim an der Bergstrasse, Germany) 20100802 |
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| Liquid chromatography-tandem mass spectrometric method for the determination of salivary 25-hydroxyvitamin D3: a noninvasive tool for the assessment of vitamin D status. | Analytical and bioanalytical chemistry 20080501 |
| Enzyme-catalysed synthesis and reactions of benzene oxide/oxepine derivatives of methyl benzoates. | Organic & biomolecular chemistry 20080407 |
| Isolation, identification, and synthesis of two oxidative degradation products of olanzapine (LY170053) in solid oral formulations. | Journal of pharmaceutical sciences 20080201 |
| A new solvent-dependent mechanism for a triazolinedione ene reaction. | The Journal of organic chemistry 20080201 |
| Polar hetero-Diels-Alder reactions of 4-alkenylthiazoles with 1,2,4-triazoline-3,5-diones: an experimental and computational study. | The Journal of organic chemistry 20080201 |
| Oxa-ene reaction of enols of amides with 4-phenyl-1,2,4-triazoline-3,5-dione. | The Journal of organic chemistry 20080104 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
| SAR and 3D-QSAR studies on thiadiazolidinone derivatives: exploration of structural requirements for glycogen synthase kinase 3 inhibitors. | Journal of medicinal chemistry 20051117 |
| Domino 6pi-electrocyclization/Diels-Alder reactions on 1,6-disubstituted (E,Z,E)-1,3,5-hexatrienes: versatile access to highly substituted tri- and tetracyclic systems. | Chemistry (Weinheim an der Bergstrasse, Germany) 20051104 |
| Development of a HPLC/tandem-MS method for the analysis of the larvicides methoprene, hydroprene, and kinoprene at trace levels using Diels-Alder derivatization. | Journal of agricultural and food chemistry 20050504 |
| Polymer-supported 1,3-oxazolium-5-olates: synthesis of 1,2,4-triazoles. | Journal of combinatorial chemistry 20050101 |
| Synthesis of a digermane-containing tricylic nonadecadienedione incorporating an equivalent of ring-opened THF. | Inorganic chemistry 20041129 |
| Pi-face-selective Diels-Alder reactions of 3,4-di-tert-butylthiophene 1-oxide and 1-imide and formation of 1,2-thiazetidines. | Journal of the American Chemical Society 20030709 |
| Low-temperature photosensitized oxidation of a guanosine derivative and formation of an imidazole ring-opened product. | Journal of the American Chemical Society 20020417 |
| Synthesis of 5-azacastanospermine, a conformationally restricted azafagomine analogue. | Chemistry (Weinheim an der Bergstrasse, Germany) 20010601 |
| Examination of structurally selective derivatization of vitamin D(3) analogues by electrospray mass spectrometry. | Journal of mass spectrometry : JMS 20010101 |
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