Basic information
- CAS
5725-91-7- Standard SMILES
CCOc1ccc2nc3ccc(=O)cc-3oc2c1- InChIKey
CRCWUBLTFGOMDD-UHFFFAOYSA-N- Molecular formula
- C14H11NO3
- Average molar mass
- 241.24 g/mol
- Monoisotopic mass
- 241.07389321
Overview
7-ethoxyresorufin is a phenoxazine.
Names & identifiers
- Preferred name
- 7-Ethoxyresorufin
- IUPAC
- 7-ethoxyphenoxazin-3-one
- English name
- RESORUFIN ETHYL ETHER
- Molecular formula
- C14H11NO3
- Molecular weight
- 241.24
Names & synonyms
7-Ethoxyresorufin5725-91-77-Ethoxy-3H-phenoxazin-3-oneResorufin ethyl etherETHOXYRESORUFIN7-Ethoxyphenoxazone3H-Phenoxazin-3-one, 7-ethoxy-59AF853SW7CHEBI:34480DTXSID90205860RefChem:106063DTXCID20128351
Show more names
7-ERO7-ETHYLRESORUFIN7-Ethoxy RresorufinRESORUFIN ETHYL ESTERThiabendazole Impurity 19
7-ethoxy resorufin7-ethoxyphenoxazin-3-oneResorufinethyl etherSCHEMBL104497UNII-59AF853SW7BDBM21360HY-D0145MFCD00037661
Database identifiers
- CAS
5725-91-7- PubChem CID
- 3294
- DTXSID
DTXSID90205860- ChEMBL
CHEMBL1080002- ChEBI
CHEBI:34480- UNII
- 59AF853SW7
- Nikkaji
- J246.012B
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 450
Physicochemical properties
- Melting point
- 223 · 223-225 °C (lit.)
- Boiling point
- 389.3 · 389.3±42.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- solubility
- DMF: soluble
- form
- Brown solid.
- pka
- 1.43 · 1.43±0.20(Predicted)
- color
- Dark Orange to Red
- BRN
- 225973 · 225973
- InChIKey
- ZOSYTBPPLWBBKM-UHFFFAOYSA-N
- SMILES
- CCOc1ccc2N=C3C=CC(=O)C=C3Oc2c1.Fc4c(F)c(F)c(OC(=O)CNC(=O)OCC5c6ccccc6-c7ccccc57)c(F)c4F
- FDA UNII
- 59 AF853SW7 · 59AF853SW7
- UNSPSC Code
- 12161501 · 12161501
- NACRES
- 47 · NA.47
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information3H-Phenoxazin-3-one, 7-ethoxy-: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- F
- 8-10
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264b-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362+P364-P403+P233-P501c
Chemistry & industry
Pharmacology
Metabolism/Metabolites7-ethoxyresorufin has known human metabolites that include Resorufin.
Applications
UsesA fluorimetric substrate for cytochrome P450 IAI. Inhibits vasorelaxant responses to acetylcholine
UsesDealkylase substrate for the microfluorimetric analysis of microsomal cytochrome P-450.
UsesResorufin ethyl ether is suitable for the study of dealkylating activity of cytochrome P450 isozymes 1A1 and 1A2, where arylalkyl and alkyl isothiocyanates, and their glutathione, cysteine, and A′-acetylcysteine conjugates are used as inhibitors. It is suitable to study the ethoxyresorufin-O-deethylase (EROD) activity of cytochrome P450 activity (CYP1A1).
General DescriptionResorufin ethers are used as markers or substrates for different cytochrome P (CYP) isoforms. Resorufin ethyl ether is the preferred resorufin ether to be metabolized by microsomes of 3-methylcholanthrene treated animals.
Upstream & downstream products
Upstream raw materials
Suppliers63 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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