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Substance Name: Piperidinium, 1-(carboxymethyl)-1-(3-(o-chlorobenzyl)-2-butenyl)-, chloride, propyl ester
RN: 62988-47-0
InChIKey: FTNRFTOOYFTAPG-NWBUNABESA-M

Molecular Formula

  • C21-H31-Cl-N-O2.Cl

Molecular Weight

  • 400.3869
 
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Names and Synonyms

Synonym

  • 1-(3-(o-Chlorobenzyl)-2-butenyl)-1-(propoxycarbonylmethyl)piperidinium chloride

Systematic Name

  • Piperidinium, 1-(carboxymethyl)-1-(3-(o-chlorobenzyl)-2-butenyl)-, chloride, propyl ester

Registry Numbers

CAS Registry Number

  • 62988-47-0

System Generated Number

  • 0062988470

Molecular Formulas

Molecular Formula

  • C21-H31-Cl-N-O2.Cl

Molecular Formula Fragments

  • C21-H31-Cl-N-O2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C21H31ClNO2.ClH/c1-3-15-25-21(24)17-23(12-7-4-8-13-23)14-11-18(2)16-19-9-5-6-10-20(19)22;/h5-6,9-11H,3-4,7-8,12-17H2,1-2H3;1H/q+1;/p-1/b18-11+;

InChIKey

FTNRFTOOYFTAPG-NWBUNABESA-M

Smiles

CCCOC(=O)C[N+]1(CCCCC1)C/C=C(\C)/Cc2ccccc2Cl.[Cl-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 51mg/kg (51mg/kg)   Russian Pharmacology and Toxicology Vol. 40, Pg. 69, 1977.
rat LD50 intraperitoneal 51mg/kg (51mg/kg)   Russian Pharmacology and Toxicology Vol. 40, Pg. 69, 1977.