CAS Number61837-65-8
Synonyms4-hydroxy mephenytoin; 5-Ethyl-5-(4-hydroxyphenyl)-3-methyl-2,4-imidazolidinedione; 5-Ethyl-5-(4-hydroxyphenyl)-3-methylimidazolidine-2,4-dione; 4-Hydroxymephenytoin
Molecular FormulaC12H14N2O3
Molecular Weight234.25
Purity≥98 (HPLC)%
Density1.3±0.1 g/cm3
Melting Point153-154ºC
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 61837-65-8 |
| Catalog No. | 2A-2195608 |
| Chinese Name | 羟基香豆素 |
| Synonyms | 4-hydroxy mephenytoin; 5-Ethyl-5-(4-hydroxyphenyl)-3-methyl-2,4-imidazolidinedione; 5-Ethyl-5-(4-hydroxyphenyl)-3-methylimidazolidine-2,4-dione; 4-Hydroxymephenytoin |
| Molecular Formula | C12H14N2O3 |
| Molecular Weight | 234.25 |
| Purity | ≥98 (HPLC) |
| Density | 1.3±0.1 g/cm3 |
| Melting Point | 153-154ºC |
| Storage Condition | 2-8℃ |
| Application | 4-Hydroxymephenytoin is a metabolite of the antiepileptic drug mephenytoin; mephenytoin is a ligand of CYP2C19. |
| PubChem ID | 57654234 |
| MDL Number | MFCD00142316 |
| SMILES | CCC1(NC(=O)N(C)C1=O)c2ccc(O)cc2 |
| InChI | 1S/C12H14N2O3/c1-3-12(8-4-6-9(15)7-5-8)10(16)14(2)11(17)13-12/h4-7,15H,3H2,1-2H3,(H,13,17) |
| InChI Key | OQPLORUDZLXXPD-UHFFFAOYSA-N |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| Hazard Symbols | transportation |
| MSDS | msds/197315_1_61837_65_8.pdf |
| Bioactivity | 4-Hydroxymephenytoin is a metabolism of an antiepileptic drug mephenytoin, which is used as a CYP2C19 substrate. Related Catalog Signaling Pathways >> Others >> Others Research Areas >> Others In Vitro 4-Hydroxymephenytoin is a metabolism of mephenytoin, which is an antiepileptic drug, and used as a CYP2C19 substrate[1]. 4-Hydroxymephenytoin (4'-Hydroxymephenytoin) is used for developing UltraPerformance LC (UPLC) tandem mass spectrometry assays for evaluating CYP probe drugs and their relevant metabolites in human urine or plasma samples[2]. References [1]. Tanaka M, et al. Simple and selective assay of 4-hydroxymephenytoin in human urine using solid-phase extraction and high-performance liquid chromatography with electrochemical detection and its preliminary application to phenotyping test. J Chromatogr B Biomed Appl. 1996 Feb 9;676(1):87-94. [2]. Stewart NA, et al. A UPLC-MS/MS assay of the "Pittsburgh cocktail": six CYP probe-drug/metabolites from human plasma and urine using stable isotope dilution. Analyst. 2011 Feb 7;136(3):605-12. Chemical & Physical Properties Density 1.3±0.1 g/cm3 Melting Point 153-154ºC Molecular Formula C12H14N2O3 Molecular Weight 234.251 Exact Mass 234.100449 PSA 69.64000 LogP 0.66 Index of Refraction 1.568 InChIKey OQPLORUDZLXXPD-UHFFFAOYSA-N SMILES CCC1(c2ccc(O)cc2)NC(=O)N(C)C1=O Storage condition 2-8℃ |
| Use of | Properties Articles35 Name (±)-4-Hydroxy Mephenytoin Synonym More Synonyms (±)-4-Hydroxy Mephenytoin Biological Activity Related Catalog Signaling Pathways >> Others >> Others Research Areas >> Others References [1]. Tanaka M, et al. Simple and selective assay of 4-hydroxymephenytoin in human urine using solid-phase extraction and high-performance liquid chromatography with electrochemical detection and its preliminary application to phenotyping test. J Chromatogr B Biomed Appl. 1996 Feb 9;676(1):87-94. [2]. Stewart NA, et al. A UPLC-MS/MS assay of the "Pittsburgh cocktail": six CYP probe-drug/metabolites from human plasma and urine using stable isotope dilution. Analyst. 2011 Feb 7;136(3):605-12. Chemical & Physical Properties Molecular Formula C12H14N2O3 Exact Mass 234.100449 PSA 69.64000 Index of Refraction 1.568 InChIKey OQPLORUDZLXXPD-UHFFFAOYSA-N Storage condition 2-8℃ |
| Transport Info | Product name: Purity: 99.0% |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special reminder to users No data available |
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