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Substance Name: Piperidinium, 1-methyl-1-(2-(N-phenyl-p-anisidino)ethyl)-, bromide, ethanol (2:2:1)
RN: 102207-37-4
InChIKey: NTPHQEJGNVTFFY-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H29-N2-O.Br.1/2C2-H6-O

Molecular Weight

  • 856.8226
 
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Names and Synonyms

Synonym

  • 1-Methyl-1-(2-N-phenyl-p-anisidinoethyl)piperidiniuym bromide ethanol

Systematic Name

  • Piperidinium, 1-methyl-1-(2-(N-phenyl-p-anisidino)ethyl)-, bromide, ethanol (2:2:1)

Registry Numbers

CAS Registry Number

  • 102207-37-4

System Generated Number

  • 0102207374

Molecular Formulas

Molecular Formula

  • C21-H29-N2-O.Br.1/2C2-H6-O

Molecular Formula Fragments

  • Br
  • C2-H6-O
  • C21-H29-N2-O
  • COMPONENT

Structure Descriptors

InChI

1S/2C21H29N2O.C2H6O.2BrH/c2*1-23(16-7-4-8-17-23)18-15-22(19-9-5-3-6-10-19)20-11-13-21(24-2)14-12-20;1-2-3;;/h2*3,5-6,9-14H,4,7-8,15-18H2,1-2H3;3H,2H2,1H3;2*1H/q2*+1;;;/p-2

InChIKey

NTPHQEJGNVTFFY-UHFFFAOYSA-L

Smiles

CCO.C[N+]1(CCCCC1)CCN(c2ccccc2)c3ccc(cc3)OC.C[N+]1(CCCCC1)CCN(c2ccccc2)c3ccc(cc3)OC.[Br-].[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 35mg/kg (35mg/kg)   Farmaco, Edizione Scientifica. Vol. 15, Pg. 821, 1960.