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Substance Name: 2H-Isoindole-2-acetic acid, 1,3-dihydro-alpha-(2-methylpropyl)-1,3-dioxo-, compd. with piperazine (2:1)
RN: 58248-07-0
InChIKey: FKIIOGYTEXAXSM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H30-N2-O8.C4-H10-N2

Molecular Weight

  • 608.688
 
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Names and Synonyms

Synonym

  • 1,3-Dioxo-alpha-isobutyl-2H-isoindoline-2-acetic acid piperazine (salt)

Systematic Name

  • 2H-Isoindole-2-acetic acid, 1,3-dihydro-alpha-(2-methylpropyl)-1,3-dioxo-, compd. with piperazine (2:1)

Registry Numbers

CAS Registry Number

  • 58248-07-0

System Generated Number

  • 0058248070

Molecular Formulas

Molecular Formula

  • C28-H30-N2-O8.C4-H10-N2

Molecular Formula Fragments

  • C28-H30-N2-O8
  • C4-H10-N2
  • COMPONENT

Structure Descriptors

InChI

1S/2C14H15NO4.C4H10N2/c2*1-8(2)7-11(14(18)19)15-12(16)9-5-3-4-6-10(9)13(15)17;1-2-6-4-3-5-1/h2*3-6,8,11H,7H2,1-2H3,(H,18,19);5-6H,1-4H2

InChIKey

FKIIOGYTEXAXSM-UHFFFAOYSA-N

Smiles

CC(C)CC(C(=O)O)N1C(=O)c2ccccc2C1=O.CC(C)CC(C(=O)O)N1C(=O)c2ccccc2C1=O.C1CNCCN1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Indian Journal of Pharmacy. Vol. 37, Pg. 118, 1975.