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Substance Name: Phenyl-N-tert-butylnitrone
RN: 3376-24-7
UNII: 3I91332OPG
InChIKey: IYSYLWYGCWTJSG-XFXZXTDPSA-N

Note

  • A spin-trapping agent.

Molecular Formula

  • C11-H15-N-O

Molecular Weight

  • 177.245
 

Classification Codes

  • Central Nervous System Agents
  • Drug / Therapeutic Agent
  • Neuroprotective Agents
  • Protective Agents
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Names and Synonyms

Name of Substance

  • Phenyl-N-tert-butylnitrone

Synonyms

  • 2-Methyl-N-(phenylmethylene)-S-propanamine N-oxide
  • 2-Phenyl-N-tert-butylnitrone
  • alpha-Phenyl-N-t-butylnitrone
  • alpha-Phenyl-N-tert-butylnitrone
  • alpha-Phenyl-t-butylnitrone
  • Benzylidene-tert-butylamine N-oxide
  • C-Phenyl-N-tert-butylnitrone
  • EINECS 222-168-6
  • N-tert-Butyl-2-phenylnitrone
  • N-tert-Butyl-alpha-phenylnitrone
  • N-tert-Butyl-C-phenylnitrone
  • PBN
  • tert Butylphenylnitrone
  • UNII-3I91332OPG

Systematic Names

  • 2-Propanamine, 2-methyl-N-(phenylmethylene)-, N-oxide
  • N-Benzyliden-tert-butylamine N-ether
  • Nitrone, N-tert-butyl-alpha-phenyl- (6CI,7CI,8CI)
  • S-Propanamine, 2-methyl-N-(phenylmethylene)-, N-oxide

Registry Numbers

CAS Registry Number

  • 3376-24-7

FDA UNII

  • 3I91332OPG

Other Registry Numbers

  • 104702-45-6
  • 115995-20-5
  • 154345-12-7
  • 165047-88-1
  • 173777-90-7
  • 50643-08-8
  • 68315-30-0

System Generated Number

  • 0003376247

Structure Descriptors

InChI

1S/C11H15NO/c1-11(2,3)12(13)9-10-7-5-4-6-8-10/h4-9H,1-3H3/b12-9-

InChIKey

IYSYLWYGCWTJSG-XFXZXTDPSA-N

Smiles

c1cccc(\C=N(\C(C)(C)C)=O)c1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intravenous 200mg/kg (200mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Journal of Medicinal Chemistry. Vol. 39, Pg. 4997, 1996.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.26 (none)   EXP
Water Solubility 4770 mg/L 25 EST
Vapor Pressure 4.33E-07 mm Hg 25 EST
Henry's Law Constant 7.35E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.07E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.