7-ethoxy-3H-phenoxazin-3-one

• ChemBase ID: 104982
• Molecular Formular: C14H11NO3
• Molecular Mass: 241.24204
• Monoisotopic Mass: 241.07389322
• SMILES: CCOc1cc2c(cc1)nc1ccc(=O)cc1o2
• Canonical SMILES: CCOc1ccc2c(c1)oc1c(n2)ccc(=O)c1
• InChI: InChI=1S/C14H11NO3/c1-2-17-10-4-6-12-14(8-10)18-13-7-9(16)3-5-11(13)15-12/h3-8H,2H2,1H3
• InChIKey: CRCWUBLTFGOMDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-ethoxy-3H-phenoxazin-3-one
• IUPAC Traditional name: ethoxyresorufin
• Synonyms: Ethoxyresorufin; O7-Ethylresorufin; Resorufin ethyl ether; 7-Ethoxy-3H-phenoxazin-3-one, Resorufin Ethyl Ester; 7-Ethoxy Resorufin; 7-Ethoxy-3H-phenoxazin-3-one; Resorufin ethyl ether; ETHOXYRESORUFIN

Database IDs

• CAS Number: 5725-91-7
• MDL Number: MFCD00037661
• Beilstein Number: 225973
• PubChem SID: 24894527; 162091991
• PubChem CID: 3294

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.2768912
• LogD (pH = 7.4): 2.2768915
• Log P: 2.2768915
• Molar Refractivity: 71.1555 cm^3
• Polarizability: 25.252558 Å^3
• Polar Surface Area: 47.89 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane
• Apperance: Orange-Red Solid
• Melting Point: 223-225 °C(lit.); 237-240°C

Safety Information

• Storage Condition: 0°C, Desiccate, Protect from light; Refrigerator, Under Inert Atmosphere
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

DETAILS

MP Biomedicals - 02157964

Fluorimetric substrate for detection of cytochrome P₄50 linked enzymes.

Sigma Aldrich - E3763

Substrates
Fluorimetric substrate for cytochrome P450 linked enzyme, CXPIA1/2

Toronto Research Chemicals - E892875

A fluorimetric substrate for cytochrome P450 IAI. Inhibits vasorelaxant responses to acetylcholine.

REFERENCES

• Burke, M.D., et al., Biochem. Pharmacol. , 34 : 3337 (1985).
• Donato, M.T., et al.: Anal. Biochem., 213, 29 (1993)
• Oyekan, A.O., et al.: J. Pharmacol. Exp. Ther., 268, 262 (1994)