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Substance Name: 1-Naphthaleneacetaldehyde, alpha-isobutyl-alpha-(2-piperidinoethyl)-
RN: 30301-11-2
InChIKey: HADUURJSDCITEH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H31-N-O

Molecular Weight

  • 337.504
 
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Names and Synonyms

Synonyms

  • alpha-Isobutyl-alpha-(2-piperidinoethyl)-1-naphthaleneacetaldehyde
  • BRN 1656986
  • NSC 171405

Systematic Names

  • 1-Naphthaleneacetaldehyde, alpha-isobutyl-alpha-(2-piperidinoethyl)-
  • 1-Piperidinebutyraldehyde, alpha-isobutyl-alpha-1-naphthyl- (8CI)

Registry Numbers

CAS Registry Number

  • 30301-11-2

System Generated Number

  • 0030301112

Structure Descriptors

InChI

1S/C23H31NO/c1-19(2)17-23(18-25,13-16-24-14-6-3-7-15-24)22-12-8-10-20-9-4-5-11-21(20)22/h4-5,8-12,18-19H,3,6-7,13-17H2,1-2H3

InChIKey

HADUURJSDCITEH-UHFFFAOYSA-N

Smiles

c1([C@@](CC(C)C)(CCN2CCCCC2)C=O)c2c(cccc2)ccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 103mg/kg (103mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 1089, 1970.