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Substance Name: 1(3H)-Isobenzofuranone, 3-((2-butyl-2-methyl-1,3-benzodioxol-5-yl)amino)-
RN: 64179-23-3
InChIKey: QCRPINVELPCAIU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H21-N-O4

Molecular Weight

  • 339.3889
 
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Names and Synonyms

Synonym

  • 3-((2-Butyl-2-methyl-1,3-benzodioxol-5-yl)amino)-1(3H)-isobenzofuranone

Systematic Name

  • 1(3H)-Isobenzofuranone, 3-((2-butyl-2-methyl-1,3-benzodioxol-5-yl)amino)-

Registry Numbers

CAS Registry Number

  • 64179-23-3

System Generated Number

  • 0064179233

Structure Descriptors

InChI

1S/C20H21NO4/c1-3-4-11-20(2)24-16-10-9-13(12-17(16)25-20)21-18-14-7-5-6-8-15(14)19(22)23-18/h5-10,12,18,21H,3-4,11H2,1-2H3

InChIKey

QCRPINVELPCAIU-UHFFFAOYSA-N

Smiles

CCCCC1(Oc2ccc(cc2O1)NC3c4ccccc4C(=O)O3)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 2gm/kg (2000mg/kg)   United States Patent Document. Vol. #4122202,