5-(4-Hydroxyphenyl)-5-phenylimidazolidin-2,4-dion
5-(4-Hydroxyphenyl)-5-phenylhydantoin
Grundinformationen
- CAS
2784-27-2- Standard-SMILES
O=C1NC(=O)C(c2ccccc2)(c2ccc(O)cc2)N1- InChIKey
XEEDURHPFVXALT-UHFFFAOYSA-N- Summenformel
- C15H12N2O3
- Durchschnittliche Molmasse
- 268,27 g/mol
- Monoisotopische Masse
- 268,08479225
Namen und Bezeichner
- Bevorzugter Name
- 5-(4-Hydroxyphenyl)-5-phenylhydantoin
- IUPAC
- 5-(4-hydroxyphenyl)-5-phenylimidazolidine-2,4-dione
- Lokaler Name
- 5-(4-Hydroxyphenyl)-5-phenylimidazolidin-2,4-dion
- Englischer Name
- 5-(4-Hydroxyphenyl)-5-phenylhydantoin
- Summenformel
- C15H12N2O3
- Molmasse
- 268.27
Namen und Synonyme
2784-27-24-Hydroxyphenytoin5-(4-Hydroxyphenyl)-5-phenylhydantoinHydroxyphenytoinp-Hydroxyphenytoin4-Hydroxydiphenylhydantoin5-(p-Hydroxyphenyl)-5-phenylhydantoinp-Hydroxydiphenylhydantoin(p-Hydroxyphenyl)phenylhydantoin(Hydroxyphenyl)phenylhydantoinpara-Hydroxyphenytoin5-(4'-Hydroxyphenyl)-5-phenylhydantoin
Weitere Namen anzeigen
NSC 1560814-Hydroxydiphenylhyhydroxydiphenylhydantoin5--5-phenyl-d5-hydantoin-13C3
5-(4-Hydroxyphenyl)-5-phenyl-2,4-imidazolidinedione2,4-Imidazolidinedione, 5-(4-hydroxyphenyl)-5-phenyl-L42OQX7ZQYCHEBI:63804DTXSID401031098NSC-1560814'-HPPH4-(4-hydroxyphenyl)-4-phenyl-4H-imidazole-2,5-diol
Datenbank-Bezeichner
- CAS
2784-27-2- PubChem CID
- 17732
- DTXSID
DTXSID401031098- ChEMBL
CHEMBL1908021- ChEBI
CHEBI:63804- UNII
- L42OQX7ZQY
- EC Number
- 220-492-2
- Nikkaji
- J77.744G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,1
- Polarare Oberfläche (TPSA)
- 78,4 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 20
- Formalladung
- 0
- Komplexität
- 398
Experimentelle und physikochemische Eigenschaften
LogP1.70
Solubility>40.2 [ug/mL] (The mean of the results at pH 7.4)
Physikochemische Eigenschaften
- Schmelzpunkt
- 300 °C · >300 °C(lit.)
- Siedepunkt
- 411.43 °C · 411.43°C (rough estimate)
- Dichte
- 1.1992 · 1.1992 (rough estimate)
- Brechungsindex
- 1.5906 · 1.5906 (estimate)
- Löslichkeit
- 50 mg/mL, · soluble50mg/mL, clear, colorless to faintly yellow (DMF:MeOH(2:1))
- Aggregatzustand
- Solid
- pka
- 8.37 · 8.37±0.10(Predicted)
- Farbe
- White to Off-White
- Wasserlöslichkeit
- 36 mg/L · 36mg/L(37 ºC)
- InChI
- 1S/C15H12N2O3/c18-12-8-6-11(7-9-12)15(10-4-2-1-3-5-10)13(19)16-14(20)17-15/h1-9,18H,(H2,16,17,19,20)
- InChIKey
- XEEDURHPFVXALT-UHFFFAOYSA-N
- SMILES
- Oc1ccc(cc1)C2(NC(=O)NC2=O)c3ccccc3
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Sicherheitsdaten
- wgk
- 2
- RTECS-Nr.
- MU2485000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Pharmakologische Informationen
Metabolism/Metabolites4-Hydroxyphenytoin has known human metabolites that include 4-Hydroxyphenytoin glucuronide and 5-(3,4-Dihydroxyphenyl)-5-phenylhydantoin.；4-Hydroxyphenytoin is a known human metabolite of phenytoin.
Cellular LocationsMembrane
Metabolite PathwaysPhenytoin (Antiarrhythmic) Action Pathway
Anwendungen
Verwenden5-(4-Hydroxyphenyl)-5-phenylhydantoin was used in enantiomeric separation of chiral pharmaceuticals using a teicoplanin chiral stationary phase by aqueous and non-aqueous packed capillary electrochromatography. It was used as internal standard in determination of phenylbutazone and its metabolite oxyphenbutazone in human plasma by GLC.
Anbieter12 Anbieter
盐城通铭生物科技有限公司15195160625 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
南京昊绿生物科技有限公司025-84622273 17361806303 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Ergänzende Hinweise
DefinitionChEBI: A imidazolidine-2,4-dione that consists of hydantoin bearing phenyl and 4-hydroxyphenyl substituents at position 5.
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