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Substance Name: Decanoic acid, 1-((octahydro-1,3-dioxo-2H-isoindol-2-yl)methyl)-2-(4-(2-pyridinyl)-1-piperazinyl)ethyl ester, (Z)-2-butenedioate (1:2)
RN: 84916-57-4
InChIKey: FXJZRGQWHVLWDC-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H46-N4-O4.2C4-H4-O4

Molecular Weight

  • 758.8606
 
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Names and Synonyms

  • Decanoic acid, 1-((octahydro-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

  • 84916-57-4

System Generated Number

  • 0084916574

Molecular Formulas

Molecular Formula

  • C30-H46-N4-O4.2C4-H4-O4

Molecular Formula Fragments

  • C30-H46-N4-O4
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C30H46N4O4.2C4H4O4/c1-2-3-4-5-6-7-8-16-28(35)38-24(23-34-29(36)25-13-9-10-14-26(25)30(34)37)22-32-18-20-33(21-19-32)27-15-11-12-17-31-27;2*5-3(6)1-2-4(7)8/h11-12,15,17,24-26H,2-10,13-14,16,18-23H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

FXJZRGQWHVLWDC-LVEZLNDCSA-N

Smiles

CCCCCCCCCC(=O)OC(CN1C(=O)C2C(C1=O)CCCC2)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,