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Substance Name: Hexanoic acid, 1-((1,3,3a,4,7,7a-hexahydro-1,3-dioxo-2H-isoindol-2-yl)methyl)-2-(4-(2-pyridinyl)-1-piperazinyl)ethyl ester, (Z)-2-butenedioate (1:2) -
RN: 84916-38-1
InChIKey: QWOYVHCWTMASEI-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H36-N4-O4.2C4-H4-O4

Molecular Weight

  • 700.7376
 
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Names and Synonyms

  • Hexanoic acid, 1-((1,3,3a,4,7,7a-hexahydro-1,3-dioxo-2H-isoindol-2-yl)methyl)-2-(4-(2-pyridinyl)-1-piperazinyl)ethyl ester, (Z)-2-butenedioate (1:2) -

Registry Numbers

CAS Registry Number

  • 84916-38-1

System Generated Number

  • 0084916381

Molecular Formulas

Molecular Formula

  • C26-H36-N4-O4.2C4-H4-O4

Molecular Formula Fragments

  • C26-H36-N4-O4
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C26H36N4O4.2C4H4O4/c1-2-3-4-12-24(31)34-20(19-30-25(32)21-9-5-6-10-22(21)26(30)33)18-28-14-16-29(17-15-28)23-11-7-8-13-27-23;2*5-3(6)1-2-4(7)8/h5-8,11,13,20-22H,2-4,9-10,12,14-19H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

QWOYVHCWTMASEI-LVEZLNDCSA-N

Smiles

CCCCCC(=O)OC(CN1C(=O)C2C(C1=O)CC=CC2)CN3CCN(CC3)c4ncccc4.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #4479954,