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Substance Name: 2-Nonenoic 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: 84916-40-5
InChIKey: MMOYJCBKCMIWON-FCJNWOMKSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H40-N4-O4.2C4-H4-O4

Molecular Weight

  • 740.8022
 
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Names and Synonyms

  • 2-Nonenoic 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

  • 84916-40-5

System Generated Number

  • 0084916405

Molecular Formulas

Molecular Formula

  • C29-H40-N4-O4.2C4-H4-O4

Molecular Formula Fragments

  • C29-H40-N4-O4
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C29H40N4O4.2C4H4O4/c1-2-3-4-5-6-7-15-27(34)37-23(22-33-28(35)24-12-8-9-13-25(24)29(33)36)21-31-17-19-32(20-18-31)26-14-10-11-16-30-26;2*5-3(6)1-2-4(7)8/h7-11,14-16,23-25H,2-6,12-13,17-22H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b15-7+;2*2-1+

InChIKey

MMOYJCBKCMIWON-FCJNWOMKSA-N

Smiles

CCCCCC/C=C/C(=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,