N-[3-(1,3-dioxoisoindol-2-yl)propyl]-2,2,5,5-tetramethyl-1-oxido-1H-pyrrol-1-ium-3-carboxamide

Names

[ CAS No. ]:
102132-45-6

[ Name ]:
N-[3-(1,3-dioxoisoindol-2-yl)propyl]-2,2,5,5-tetramethyl-1-oxido-1H-pyrrol-1-ium-3-carboxamide

[Synonym ]:
2,5-Dihydro-N-(3-phthalimidopropyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide 1-oxide
N-[(1-oxyl-2,2,5,5-tetramethyl-3-pyrroline-3-carboxamido)propyl]phthalimide
1H-Pyrrole-3-carboxamide,2,5-dihydro-N-(3-phthalimidopropyl)-2,2,5,5-tetramethyl-,1-oxide

Chemical & Physical Properties

[ Molecular Formula ]:
C20H24N3O4

[ Molecular Weight ]:
370.42200

[ Exact Mass ]:
370.17700

[ PSA ]:
99.40000

[ LogP ]:
2.80200

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UX9368700
CHEMICAL NAME :
1H-Pyrrole-3-carboxamide, 2,5-dihydro-N-(3-phthalimidopropyl)-2,2,5,5-tetrameth yl-, 1-oxide
CAS REGISTRY NUMBER :
102132-45-6
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C20-H24-N3-O4
MOLECULAR WEIGHT :
370.47
WISWESSER LINE NOTATION :
T56 BVNVJ C3MV CT5N CUTJ AO B1 B1 E1 E1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
187 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 29,1138,1986

Synthetic Route

Precursor & DownStream

Precursor

  • dibromo-fluoro-sulfanylidene-λ5-phosphane
  • 3,5-dibromo-2,2,6,6-tetramethylpiperidin-4-one,hydrobromide
  • Phthalic anhydride

DownStream

  • dibromo-fluoro-sulfanylidene-λ5-phosphane