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Substance Name: Benzoic acid, 3-(2'-pentylpiperidino)propyl ester
RN: 64050-38-0
InChIKey: SRZOHCZNOHUVHY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H31-N-O2

Molecular Weight

  • 317.47
 
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Names and Synonyms

Synonyms

  • 3-(2'-Pentylpiperidino)propyl benzoate
  • 4-20-00-01645 (Beilstein Handbook Reference)
  • BRN 0224824

Systematic Name

  • Benzoic acid, 3-(2'-pentylpiperidino)propyl ester

Registry Numbers

CAS Registry Number

  • 64050-38-0

System Generated Number

  • 0064050380

Structure Descriptors

InChI

1S/C20H31NO2/c1-2-3-5-13-19-14-8-9-15-21(19)16-10-17-23-20(22)18-11-6-4-7-12-18/h4,6-7,11-12,19H,2-3,5,8-10,13-17H2,1H3

InChIKey

SRZOHCZNOHUVHY-UHFFFAOYSA-N

Smiles

C1[N@@]([C@@H](CCC1)CCCCC)CCCOC(c1ccccc1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 20mg/kg (20mg/kg)   Record of Chemical Progress. Vol. 15, Pg. 143, 1954.