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Substance Name: Acetic acid, (3-chloro-4-piperidinophenyl)-
RN: 26586-30-1
InChIKey: XXIINSHWYFXOSI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H16-Cl-N-O2

Molecular Weight

  • 253.727
 
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Names and Synonyms

Synonyms

  • (3-Chloro-4-piperidinophenyl)acetic acid
  • 5-20-03-00070 (Beilstein Handbook Reference)
  • BRN 1252232

Systematic Name

  • Acetic acid, (3-chloro-4-piperidinophenyl)-

Registry Numbers

CAS Registry Number

  • 26586-30-1

System Generated Number

  • 0026586301

Structure Descriptors

InChI

1S/C13H16ClNO2/c14-11-8-10(9-13(16)17)4-5-12(11)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7,9H2,(H,16,17)

InChIKey

XXIINSHWYFXOSI-UHFFFAOYSA-N

Smiles

c1(N2CCCCC2)c(cc(CC(O)=O)cc1)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 800mg/kg (800mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 1460, 1979.