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Substance Name: 1,3,5-Diazaphosphorinium, 1,3-bis(phenylmethyl)-5-butyl-5-phenyl-, bromide
RN: 85684-46-4
InChIKey: HCXBKULFHDJBEV-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H34-N2-P.Br

Molecular Weight

  • 497.4576
 
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Names and Synonyms

Synonyms

  • 1,3-Bis(phenylmethyl)-5-butyl-5-phenyl-1,3,5-diazaphosphorinium bromide
  • 1,3-Dibenzyl-5-phenyl-5-n-butyl-1,3,5-diazaphosphorinanium bromide

Systematic Name

  • 1,3,5-Diazaphosphorinium, 1,3-bis(phenylmethyl)-5-butyl-5-phenyl-, bromide

Registry Numbers

CAS Registry Number

  • 85684-46-4

System Generated Number

  • 0085684464

Molecular Formulas

Molecular Formula

  • C27-H34-N2-P.Br

Molecular Formula Fragments

  • Br
  • C27-H34-N2-P
  • COMPONENT

Structure Descriptors

InChI

1S/C27H34N2P.BrH/c1-2-3-19-30(27-17-11-6-12-18-27)23-28(20-25-13-7-4-8-14-25)22-29(24-30)21-26-15-9-5-10-16-26;/h4-18H,2-3,19-24H2,1H3;1H/q+1;/p-1

InChIKey

HCXBKULFHDJBEV-UHFFFAOYSA-M

Smiles

CCCC[P+]1(CN(CN(C1)Cc2ccccc2)Cc3ccccc3)c4ccccc4.[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 240mg/kg (240mg/kg)   Pharmaceutical Chemistry Journal Vol. 17, Pg. 206, 1983.