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Substance Name: 2-Benzimidazolinone, 1-allyl-3-(1-(3,3-diphenyl-4-oxohexyl)-4-piperidyl)-
RN: 100447-43-6
InChIKey: AVWSMSULFQTBPH-UHFFFAOYSA-N

Molecular Formula

  • C33-H37-N3-O2

Molecular Weight

  • 507.6743
 
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Names and Synonyms

Synonyms

  • 1-Allyl-3-(1-(3,3-diphenyl-4-oxohexyl)-4-piperidyl)-2-benzimidazolinone
  • 4-(3-Allyl-2-oxo-1-benzimidazolinyl)-1-(3,3-diphenyl-4-oxohexyl)-piperidine

Systematic Name

  • 2-Benzimidazolinone, 1-allyl-3-(1-(3,3-diphenyl-4-oxohexyl)-4-piperidyl)-

Registry Numbers

CAS Registry Number

  • 100447-43-6

System Generated Number

  • 0100447436

Structure Descriptors

InChI

1S/C33H37N3O2/c1-3-22-35-29-17-11-12-18-30(29)36(32(35)38)28-19-23-34(24-20-28)25-21-33(31(37)4-2,26-13-7-5-8-14-26)27-15-9-6-10-16-27/h3,5-18,28H,1,4,19-25H2,2H3

InChIKey

AVWSMSULFQTBPH-UHFFFAOYSA-N

Smiles

CCC(=O)C(CCN1CCC(CC1)n2c3ccccc3n(c2=O)CC=C)(c4ccccc4)c5ccccc5

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 790ug/kg (0.79mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11353,