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28129-90-0 | 2,4-Imidazolidinedione,5-(3,4-dihydroxy-1,5-cyclohexadien-1-yl)-5-phenyl-
CAS No: 28129-90-0 Catalog No: AG007LCB MDL No:
Product Description
Catalog Number:
AG007LCB
Chemical Name:
2,4-Imidazolidinedione,5-(3,4-dihydroxy-1,5-cyclohexadien-1-yl)-5-phenyl-
CAS Number:
28129-90-0
Molecular Formula:
C15H14N2O4
Molecular Weight:
286.2827
IUPAC Name:
5-(3,4-dihydroxycyclohexa-1,5-dien-1-yl)-5-phenylimidazolidine-2,4-dione
InChI:
InChI=1S/C15H14N2O4/c18-11-7-6-10(8-12(11)19)15(9-4-2-1-3-5-9)13(20)16-14(21)17-15/h1-8,11-12,18-19H,(H2,16,17,20,21)
InChI Key:
FEEKFEKCXIDMIS-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C(N1)(C1=CC(C(C=C1)O)O)c1ccccc1
Properties
Complexity:
522
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.095g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
286.287g/mol
Monoisotopic Mass:
286.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
Literature
| Title | Journal |
|---|---|
| Excretion of the principal urinary metabolites of phenytoin and absolute oral bioavailability determined by use of a stable isotope in patients with epilepsy. | Therapeutic drug monitoring 20110201 |
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