Basic information
- CAS
157230-67-6- Standard SMILES
CCOP(=O)(OCC)C1(C)CCC=[N+]1[O-]- InChIKey
OKCDBZSDRSXFIB-UHFFFAOYSA-N- Molecular formula
- C9H18NO4P
- Average molar mass
- 235.22 g/mol
- Monoisotopic mass
- 235.09734469
Overview
a phosphorylated spin trap; structure given in first source
Names & identifiers
- Preferred name
- 5-(Diethoxyphosphoryl)-5-methyl-1-pyrroline-N-oxide
- IUPAC
- 2-diethoxyphosphoryl-2-methyl-1-oxido-3,4-dihydropyrrol-1-ium
- English name
- DEPMPO
- Molecular formula
- C9H18NO4P
- Molecular weight
- 235.22
Names & synonyms
157230-67-65-(DIETHOXYPHOSPHORYL)-5-METHYL-1-PYRROLINE-N-OXIDE5-DEPMPO5-Diethoxyphosphoryl-5-methyl-1-pyrroline N-oxideDEPDMPORefChem:531099DEPMPO5-(Diethylphosphono)-5-methyl-1-pyrroline N-Oxide2-diethoxyphosphoryl-2-methyl-1-oxido-3,4-dihydropyrrol-1-iumPhosphonic acid, P-(3,4-dihydro-2-methyl-1-oxido-2H-pyrrol-2-yl)-, diethyl ester5-Diethoxyphosphoryl-5-methyl-1-pyrroline-N-oxideHY-120976
Show more names
DEPMPO, Spin trap5-(Diethoxyphosphoryl)-5-(DIETHOXYPHOSPHONYL)-5-METHYL-1-PYRROLINE-N-OXIDE5-(Diethylphosphono)-5-methyl-1-pyrrolineN-Oxide>5-(Diethylphosphono)-5-methyl-1-pyrroline N-Oxide2-DIETHYLPHOSPHONO-2-METHYL-3,4-DIHYDRO-2H-PYRROLE 1-OXIDE(2-METHYL-3,4-DIHYDRO-1-OXIDE-2H-PYRROL-2-YL)DIETHYLPHOSPHONATE
D3068Phosphonicacid,P-(3,4-dihydro-2-methyl-1-oxido-2H-pyrrol-2-yl)-,diethylester2-(diethoxyphosphoryl)-2-methyl-3,4-dihydro-2H-pyrrol-1-ium-1-olateSCHEMBL829255orb1694103OKCDBZSDRSXFIB-UHFFFAOYSA-NGLXC-028982-(diethoxyphosphoryl)-2-methyl-3,4-dihydro-2H-pyrrole 1-oxide
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 294
Physicochemical properties
- Boiling point
- 412.4 · 412.4±34.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- storage temp.
- Freezer
- solubility
- Soluble in Water or Ethanol.
- form
- Colorless to light yellow oil.
- pka
- 1.74 · 1.74±0.40(Predicted)
- color
- Pale yellow
- Stability
- Hygroscopic Oil, Light Sensitive
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 335 · H335-H318-H315
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
GHS classification
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H335-H318-H315
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
DescriptionDEPMPO (157230-67-6) is a spin trap capable of detecting oxygen, nitrogen, sulfur and carbon-centered free radicals both in vitro and in vivo. DEPMPO is useful for distinguishing between superoxide-dependent pathways of hydroxyl radical generation, and those that are superoxide independent.
UsesDEPMPO is a spin trap useful as a probe for free radical formation during myocardial ischemia/reperfusion injury. An analogue of DMPO
UsesDEPMPO is the most efficient spin trap for the in vitro detection of O-, N-, S- and C-centered free radicals both invitro and invivo. It has a longer life-time than DMPO and can distinguish between superoxide-dependent and independent mechanisms that lead to the hydroxyl radical. It is less lipophilic (Kp=0.16) than DIPPMPO.
Upstream & downstream products
Upstream raw materials
Suppliers29 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.
Related reactions
1 records
Compound notes
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