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Substance Name: Pentanediamide, N,N'-bis(3-methyl-2-butenyl)-2-((3-(2-furanyl)-1-oxo-2-propenyl)amino)-, (+-)-
RN: 100550-62-7
InChIKey: AVTFASCQVMKQDC-VQHVLOKHSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H31-N3-O4

Molecular Weight

  • 401.5039
 
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Names and Synonyms

Synonyms

  • (+-)-N,N'-Bis(3-methyl-2-butenyl)-2-((3-(2-furanyl)-1-oxo-2-propenyl)amino)pentanediamide
  • DL-2-(beta-(2-Furyl)acrylamido)-N(sup 1),N(sup 5)-bis(3-methyl-2-butenyl)pentane-1,5-diamide

Systematic Name

  • Pentanediamide, N,N'-bis(3-methyl-2-butenyl)-2-((3-(2-furanyl)-1-oxo-2-propenyl)amino)-, (+-)-

Registry Numbers

CAS Registry Number

  • 100550-62-7

System Generated Number

  • 0100550627

Structure Descriptors

InChI

1S/C22H31N3O4/c1-16(2)11-13-23-20(26)10-8-19(22(28)24-14-12-17(3)4)25-21(27)9-7-18-6-5-15-29-18/h5-7,9,11-12,15,19H,8,10,13-14H2,1-4H3,(H,23,26)(H,24,28)(H,25,27)/b9-7+

InChIKey

AVTFASCQVMKQDC-VQHVLOKHSA-N

Smiles

CC(=CCNC(=O)CCC(C(=O)NCC=C(C)C)NC(=O)/C=C/c1ccco1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 600mg/kg (600mg/kg)   United States Patent Document. Vol. #4610983,