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Substance Name: Benzenemethanaminium, 2-chloro-N-(2-hydroxy-3-(2-(2-propenyl)phenoxy)propyl)-N,N-dimethyl-, chloride
RN: 105996-46-1
InChIKey: IKAALQNYWRLUCM-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H27-Cl-N-O2.Cl

Molecular Weight

  • 396.3553
 
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Names and Synonyms

  • Benzenemethanaminium, 2-chloro-N-(2-hydroxy-3-(2-(2-propenyl)phenoxy)propyl)-N,N-dimethyl-, chloride

Registry Numbers

CAS Registry Number

  • 105996-46-1

System Generated Number

  • 0105996461

Molecular Formulas

Molecular Formula

  • C21-H27-Cl-N-O2.Cl

Molecular Formula Fragments

  • C21-H27-Cl-N-O2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C21H27ClNO2.ClH/c1-4-9-17-10-6-8-13-21(17)25-16-19(24)15-23(2,3)14-18-11-5-7-12-20(18)22;/h4-8,10-13,19,24H,1,9,14-16H2,2-3H3;1H/q+1;/p-1

InChIKey

IKAALQNYWRLUCM-UHFFFAOYSA-M

Smiles

C[N+](C)(Cc1ccccc1Cl)CC(COc2ccccc2CC=C)O.[Cl-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 94mg/kg (94mg/kg)   Pharmaceutical Chemistry Journal Vol. 20, Pg. 323, 1986.