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Substance Name: 3-Pyrrolidinecarboxamide, N-(2-(2,6-dimethylphenoxy)-1-methylethyl)-2,2,5,5-tetramethyl-, 1-oxide
RN: 102132-46-7
InChIKey: MCUWRZUGPUZDJG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H31-N2-O3

Molecular Weight

  • 348.4838
 
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Names and Synonyms

Synonym

  • BRN 5995343

Systematic Name

  • 3-Pyrrolidinecarboxamide, N-(2-(2,6-dimethylphenoxy)-1-methylethyl)-2,2,5,5-tetramethyl-, 1-oxide

Registry Numbers

CAS Registry Number

  • 102132-46-7

System Generated Number

  • 0102132467

Structure Descriptors

InChI

1S/C20H32N2O3/c1-13-9-8-10-14(2)17(13)25-12-15(3)21-18(23)16-11-19(4,5)22(24)20(16,6)7/h8-10,15-16,22H,11-12H2,1-7H3,(H,21,23)

InChIKey

MCUWRZUGPUZDJG-UHFFFAOYSA-N

Smiles

Cc1cccc(c1OCC(C)NC(=O)C2CC([NH+](C2(C)C)[O-])(C)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 21mg/kg (21mg/kg)   Journal of Medicinal Chemistry. Vol. 29, Pg. 1138, 1986.