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Substance Name: BN 52111
RN: 120889-14-7
InChIKey: YZHGMFNGBBTPOH-UHFFFAOYSA-M

Note

  • Platelet activating factor antagonist.

Molecular Weight

  • 612.728
 
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Names and Synonyms

Name of Substance

  • BN 52111

Synonyms

  • 2-Heptadecyl-2-methyl-4-(6'-(N-pyridinium)hexanoyloxymethyl)-1,3-dioxolan
  • BN-52111

Systematic Name

  • Pyridinium, 1-(6-((2-heptadecyl-2-methyl-1,3-dioxolan-4-yl)methoxy)-6-oxohexyl)-, bromide

Registry Numbers

CAS Registry Number

  • 120889-14-7

System Generated Number

  • 0120889147

Structure Descriptors

InChI

1S/C33H58NO4.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-33(2)37-30-31(38-33)29-36-32(35)24-19-17-21-26-34-27-22-18-23-28-34;/h18,22-23,27-28,31H,3-17,19-21,24-26,29-30H2,1-2H3;1H/q+1;/p-1

InChIKey

YZHGMFNGBBTPOH-UHFFFAOYSA-M

Smiles

c1cccc[n+]1CCCCCC(=O)OC[C@@H]1O[C@@](OC1)(C)CCCCCCCCCCCCCCCCC.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 300mg/kg (300mg/kg)   United States Patent Document. Vol. #4921865,
mouse LD50 oral > 600mg/kg (600mg/kg)   United States Patent Document. Vol. #4921865,
mouse LD50 subcutaneous > 300mg/kg (300mg/kg)   United States Patent Document. Vol. #4921865,