7-[(2H11)pentyloxy]-3H-phenoxazin-3-one

• ChemBase ID: 176353
• Molecular Formular: C17H17NO3
• Molecular Mass: 283.32178
• Monoisotopic Mass: 283.12084341
• SMILES: c1c(=O)cc2c(c1)nc1c(o2)cc(cc1)OCCCCC
• Canonical SMILES: CCCCCOc1ccc2c(c1)oc1c(n2)ccc(=O)c1
• InChI: InChI=1S/C17H17NO3/c1-2-3-4-9-20-13-6-8-15-17(11-13)21-16-10-12(19)5-7-14(16)18-15/h5-8,10-11H,2-4,9H2,1H3
• InChIKey: ZPSOKQFFOYYPKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(^2H₁₁)pentyloxy]-3H-phenoxazin-3-one
• IUPAC Traditional name: 7-[(^2H₁₁)pentyloxy]phenoxazin-3-one
• Synonyms: 7-(Pentyloxy)-3H-phenoxazin-3-one-d11; 7-Pentoxyphenoxazone-d11; 7-Pentoxyresorufin-d11; O-Pentylresorufin-d11

Database IDs

• PubChem SID: 164232263
• PubChem CID: 71751514

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.688551
• LogD (pH = 7.4): 3.6885512
• Log P: 3.6885512
• Molar Refractivity: 84.8815 cm^3
• Polarizability: 30.772713 Å^3
• Polar Surface Area: 47.89 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - P284202

A labelled fluorescent indicator of Cytochrome P 450 activity.

REFERENCES

• Khurana, S., et al.: J. Hepatol., 49, 998 (2008)
• Lupp, A., et al.: Anal. Bioanal. Chem., 392, 1173 (2008)
• Gonzalez, J.,e t al.: Marine Environ. Res., 67, 183 (2008)