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Substance Name: Piperidinium, 1-(alpha-(hydroxymethyl)benzyl)-1-methyl-, bromide, diphenylacetate
RN: 102207-33-0
InChIKey: WBCVVIANVHAFCK-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H32-N-O2.Br

Molecular Weight

  • 494.4698
 
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Names and Synonyms

Synonyms

  • 1-(alpha-(Hydroxymethyl)benzyl)-1-methylpiperidinium bromide diphenylacetate
  • FC 620/A

Systematic Name

  • Piperidinium, 1-(alpha-(hydroxymethyl)benzyl)-1-methyl-, bromide, diphenylacetate

Registry Numbers

CAS Registry Number

  • 102207-33-0

System Generated Number

  • 0102207330

Molecular Formulas

Molecular Formula

  • C28-H32-N-O2.Br

Molecular Formula Fragments

  • Br
  • C28-H32-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C28H32NO2.BrH/c1-29(20-12-5-13-21-29)26(23-14-6-2-7-15-23)22-31-28(30)27(24-16-8-3-9-17-24)25-18-10-4-11-19-25;/h2-4,6-11,14-19,26-27H,5,12-13,20-22H2,1H3;1H/q+1;/p-1

InChIKey

WBCVVIANVHAFCK-UHFFFAOYSA-M

Smiles

C[N+]1(CCCCC1)C(COC(=O)C(c2ccccc2)c3ccccc3)c4ccccc4.[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 82mg/kg (82mg/kg)   Farmaco, Edizione Scientifica. Vol. 19, Pg. 588, 1964.