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Substance Name: 2H-Isoindole-2-acetic acid, 1,3-dihydro-alpha-(1-methylethyl)-1,3-dioxo-, compd. with piperazine (2:1)
RN: 58248-08-1
InChIKey: HACBIPSIVUMIET-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H26-N2-O8.C4-H10-N2

Molecular Weight

  • 580.6344
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 58248-08-1

System Generated Number

  • 0058248081

Molecular Formulas

Molecular Formula

  • C26-H26-N2-O8.C4-H10-N2

Molecular Formula Fragments

  • C26-H26-N2-O8
  • C4-H10-N2
  • COMPONENT

Structure Descriptors

InChI

1S/2C13H13NO4.C4H10N2/c2*1-7(2)10(13(17)18)14-11(15)8-5-3-4-6-9(8)12(14)16;1-2-6-4-3-5-1/h2*3-7,10H,1-2H3,(H,17,18);5-6H,1-4H2

InChIKey

HACBIPSIVUMIET-UHFFFAOYSA-N

Smiles

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