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Substance Name: 1(3H)-Isobenzofuranone, 3-((2,2-diethyl-1,3-benzodioxol-5-yl)amino)-
RN: 64179-20-0
InChIKey: VKYDLUBRBZOHLV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H19-N-O4

Molecular Weight

  • 325.3621
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 64179-20-0

System Generated Number

  • 0064179200

Structure Descriptors

InChI

1S/C19H19NO4/c1-3-19(4-2)23-15-10-9-12(11-16(15)24-19)20-17-13-7-5-6-8-14(13)18(21)22-17/h5-11,17,20H,3-4H2,1-2H3

InChIKey

VKYDLUBRBZOHLV-UHFFFAOYSA-N

Smiles

CCC1(Oc2ccc(cc2O1)NC3c4ccccc4C(=O)O3)CC

Toxicity

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