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Substance Name: 1-Naphthaleneacetaldehyde, alpha-sec-butyl-alpha-(2-(diethylamino)ethyl)-
RN: 28321-32-6
InChIKey: COQGZQQXVHLMSC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H31-N-O

Molecular Weight

  • 325.493
 
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Names and Synonyms

Synonyms

  • alpha-sec-Butyl-alpha-(2-(diethylamino)ethyl)-1-naphthaleneacetaldehyde
  • NSC 171423

Systematic Names

  • 1-Naphthaleneacetaldehyde, alpha-(2-(diethylamino)ethyl)-alpha-(1-methylpropyl)- (9CI)
  • 1-Naphthaleneacetaldehyde, alpha-sec-butyl-alpha-(2-(diethylamino)ethyl)-

Registry Numbers

CAS Registry Number

  • 28321-32-6

System Generated Number

  • 0028321326

Structure Descriptors

InChI

1S/C22H31NO/c1-5-18(4)22(17-24,15-16-23(6-2)7-3)21-14-10-12-19-11-8-9-13-20(19)21/h8-14,17-18H,5-7,15-16H2,1-4H3

InChIKey

COQGZQQXVHLMSC-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 38mg/kg (38mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 1089, 1970.