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Substance Name: 1-Naphthaleneacetaldehyde, alpha-sec-butyl-alpha-(2-piperidinoethyl)-
RN: 30301-12-3
InChIKey: YPGPWXLXVVXECZ-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-sec-Butyl-alpha-(2-piperidinoethyl)-1-naphthaleneacetaldehyde
  • BRN 1657096
  • NSC 180635

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 30301-12-3

System Generated Number

  • 0030301123

Structure Descriptors

InChI

1S/C23H31NO/c1-3-19(2)23(18-25,14-17-24-15-7-4-8-16-24)22-13-9-11-20-10-5-6-12-21(20)22/h5-6,9-13,18-19H,3-4,7-8,14-17H2,1-2H3

InChIKey

YPGPWXLXVVXECZ-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 140mg/kg (140mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 1089, 1970.