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Substance Name: 1(3H)-Isobenzofuranone, 3-(spiro(1,3-benzodioxole-2,1'-cyclohexan)-5-ylamino)-
RN: 64179-21-1
InChIKey: MCDDDYAUFJFRJF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H19-N-O4

Molecular Weight

  • 337.3731
 
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Names and Synonyms

Synonym

  • 3-(Spiro(1,3-benzodioxole-2,1'-cyclohexan)-5-ylamino)-1(3H)-isobenzofuranone

Systematic Name

  • 1(3H)-Isobenzofuranone, 3-(spiro(1,3-benzodioxole-2,1'-cyclohexan)-5-ylamino)-

Registry Numbers

CAS Registry Number

  • 64179-21-1

System Generated Number

  • 0064179211

Structure Descriptors

InChI

1S/C20H19NO4/c21-13-4-3-9-20(11-13)24-16-8-7-12(10-17(16)25-20)18-14-5-1-2-6-15(14)19(22)23-18/h1-2,5-8,10,13,18H,3-4,9,11,21H2

InChIKey

MCDDDYAUFJFRJF-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)C(OC2=O)c3ccc4c(c3)OC5(O4)CCCC(C5)N

Toxicity

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