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Substance Name: Piperidinium, 1-(carboxymethyl)-1-(3-(o-chlorobenzyl)-2-butenyl)-, chloride, pentyl ester
RN: 62988-48-1
InChIKey: VNPHRHYMIQHUIH-UNUAAEKOSA-M

Molecular Formula

  • C23-H35-Cl-N-O2.Cl

Molecular Weight

  • 428.4405
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 62988-48-1

System Generated Number

  • 0062988481

Molecular Formulas

Molecular Formula

  • C23-H35-Cl-N-O2.Cl

Molecular Formula Fragments

  • C23-H35-Cl-N-O2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C23H35ClNO2.ClH/c1-3-4-10-17-27-23(26)19-25(14-8-5-9-15-25)16-13-20(2)18-21-11-6-7-12-22(21)24;/h6-7,11-13H,3-5,8-10,14-19H2,1-2H3;1H/q+1;/p-1/b20-13+;

InChIKey

VNPHRHYMIQHUIH-UNUAAEKOSA-M

Smiles

CCCCCOC(=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 32mg/kg (32mg/kg)   Russian Pharmacology and Toxicology Vol. 40, Pg. 69, 1977.
rat LD50 intraperitoneal 32mg/kg (32mg/kg)   Russian Pharmacology and Toxicology Vol. 40, Pg. 69, 1977.