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Substance Name: 1(3H)-Isobenzofuranone, 3-((2,2-dipropyl-1,3-benzodioxol-5-yl)amino)-
RN: 64179-22-2
InChIKey: KZZZTMXOTWHJAK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H23-N-O4

Molecular Weight

  • 353.4157
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 64179-22-2

System Generated Number

  • 0064179222

Structure Descriptors

InChI

1S/C21H23NO4/c1-3-11-21(12-4-2)25-17-10-9-14(13-18(17)26-21)22-19-15-7-5-6-8-16(15)20(23)24-19/h5-10,13,19,22H,3-4,11-12H2,1-2H3

InChIKey

KZZZTMXOTWHJAK-UHFFFAOYSA-N

Smiles

CCCC1(Oc2ccc(cc2O1)NC3c4ccccc4C(=O)O3)CCC

Toxicity

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